data_Remediated_restraints_file_for_PDB_entry_1buf # This BMRB archive file contains, for PDB entry 1buf: # # - Coordinates and sequence information from the PDB mmCIF file # - NMR restraints from the PDB MR file # # In this file, the coordinates and NMR restraints share the same atom names, # and in this way can differ from the data deposited at the wwPDB. To achieve # this aim, the NMR restraints were parsed from their original format files, and # the coordinates and NMR restraints information were subsequently harmonized. # # Due to the complexity of this harmonization process, minor modifications could # have occurred to the NMR restraints information, or data could have been lost # because of parsing or conversion errors. The PDB file remains the # authoritative reference for the atomic coordinates and the originally deposited # restraints files remain the primary reference for these data. # # This file is generated as part of the wwPDB at the BioMagResBank (BMRB) in # collaboration with the PDBe (formerly MSD) group at the European # Bioinformatics Institute (EBI) and the CMBI/IMM group at the Radboud # University of Nijmegen. # # Several software packages were used to produce this file: # # - Wattos (BMRB and CMBI/IMM). # - FormatConverter and NMRStarExport (PDBe). # - CCPN framework (http://www.ccpn.ac.uk/). # # More information about this process can be found in the references below. # Please cite the original reference for this PDB entry. # # JF Doreleijers, A Nederveen, W Vranken, J Lin, AM Bonvin, R Kaptein, JL # Markley, and EL Ulrich (2005). BioMagResBank databases DOCR and FRED # containing converted and filtered sets of experimental NMR restraints and # coordinates from over 500 protein PDB structures. J. Biomol. NMR 32, 1-12. # # WF Vranken, W Boucher, TJ Stevens, RH Fogh, A Pajon, M Llinas, EL Ulrich, JL # Markley, J Ionides, ED Laue (2005). The CCPN data model for NMR spectroscopy: # development of a software pipeline. Proteins 59, 687-696. # # JF Doreleijers, WF Vranken, C Schulte, J Lin, JR Wedell, CJ Penkett, GW Vuister, # G Vriend, JL Markley, and EL Ulrich (2009). The NMR Restraints Grid at BMRB for # 5,266 Protein and Nucleic Acid PDB Entries. J Biomol. NMR 45, 389-396. ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID rr_1buf _Entry.Title 'wwPDB remediated NMR restraints for PDB entry 1buf' _Entry.Version_type original _Entry.NMR_STAR_version 3.1.0.8 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'Contains the remediated restraint lists and coordinates for PDB entry 1buf' _Entry.PDB_coordinate_file_version 3.20 loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1buf 'Master copy' rr_1buf stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID rr_1buf _Assembly.ID 1 _Assembly.Name 1buf _Assembly.Number_of_components 2 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass 3736.38692 loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'DNA 5 D CP AP AP TP TP G 3' 1 $DNA__5__D__CP_AP_AP_TP_TP_G__3__ A . no . . . . . . rr_1buf 1 2 'DNA 5 D CP AP AP TP TP G 3' 1 $DNA__5__D__CP_AP_AP_TP_TP_G__3__ B . no . . . . . . rr_1buf 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_DNA__5__D__CP_AP_AP_TP_TP_G__3__ _Entity.Sf_category entity _Entity.Sf_framecode DNA__5__D__CP_AP_AP_TP_TP_G__3__ _Entity.Entry_ID rr_1buf _Entity.ID 1 _Entity.Name DNA__5__D__CP_AP_AP_TP_TP_G__3__ _Entity.Type polymer _Entity.Polymer_type polydeoxyribonucleotide _Entity.Polymer_strand_ID A,B _Entity.Polymer_seq_one_letter_code CAATTG _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality yes _Entity.Nstd_linkage no _Entity.Number_of_monomers 6 _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Parent_entity_ID 1 _Entity.Formula_weight 1868.19346 loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . DC . rr_1buf 1 2 . DA . rr_1buf 1 3 . DA . rr_1buf 1 4 . DT . rr_1buf 1 5 . DT . rr_1buf 1 6 . DG . rr_1buf 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . DC 1 1 rr_1buf 1 . DA 2 2 rr_1buf 1 . DA 3 3 rr_1buf 1 . DT 4 4 rr_1buf 1 . DT 5 5 rr_1buf 1 . DG 6 6 rr_1buf 1 stop_ save_ ############################## # Structure determinations # ############################## ########################## # Conformer statistics # ########################## save_conformer_statistics _Conformer_stat_list.Sf_category conformer_statistics _Conformer_stat_list.Sf_framecode conformer_statistics _Conformer_stat_list.Entry_ID rr_1buf _Conformer_stat_list.ID 1 _Conformer_stat_list.Conf_family_coord_set_ID 1 _Conformer_stat_list.Conf_family_coord_set_label $Original_constraints_and_structures _Conformer_stat_list.Conformer_submitted_total_num 1 save_ ##################################### # Conformer family coordinate set # ##################################### save_ensemble_of_conformers _Conformer_family_coord_set.Sf_category conformer_family_coord_set _Conformer_family_coord_set.Sf_framecode ensemble_of_conformers _Conformer_family_coord_set.Entry_ID rr_1buf _Conformer_family_coord_set.ID 1 loop_ _Conformer_family_refinement.Refine_method _Conformer_family_refinement.Refine_details _Conformer_family_refinement.Software_ID _Conformer_family_refinement.Software_label _Conformer_family_refinement.Entry_ID _Conformer_family_refinement.Conformer_family_coord_set_ID 1 . . . rr_1buf 1 stop_ loop_ _Conformer_family_software.Software_ID _Conformer_family_software.Software_label _Conformer_family_software.Method_ID _Conformer_family_software.Method_label _Conformer_family_software.Entry_ID _Conformer_family_software.Conformer_family_coord_set_ID . . . . rr_1buf 1 stop_ loop_ _Atom_site.Assembly_ID _Atom_site.Model_ID _Atom_site.Model_site_ID _Atom_site.ID _Atom_site.Assembly_atom_ID _Atom_site.Label_entity_assembly_ID _Atom_site.Label_entity_ID _Atom_site.Label_comp_index_ID _Atom_site.Label_comp_ID _Atom_site.Label_atom_ID _Atom_site.Type_symbol _Atom_site.Cartn_x _Atom_site.Cartn_y _Atom_site.Cartn_z _Atom_site.Cartn_x_esd _Atom_site.Cartn_y_esd _Atom_site.Cartn_z_esd _Atom_site.Occupancy _Atom_site.Occupancy_esd _Atom_site.Uncertainty _Atom_site.Ordered_flag _Atom_site.Footnote_ID _Atom_site.PDBX_label_asym_ID _Atom_site.PDBX_label_seq_ID _Atom_site.PDBX_label_comp_ID _Atom_site.PDBX_label_atom_ID _Atom_site.PDBX_formal_charge _Atom_site.PDBX_label_entity_ID _Atom_site.PDB_record_ID _Atom_site.PDB_model_num _Atom_site.PDB_strand_ID _Atom_site.PDB_ins_code _Atom_site.PDB_residue_no _Atom_site.PDB_residue_name _Atom_site.PDB_atom_name _Atom_site.Auth_entity_assembly_ID _Atom_site.Auth_asym_ID _Atom_site.Auth_chain_ID _Atom_site.Auth_seq_ID _Atom_site.Auth_comp_ID _Atom_site.Auth_atom_ID _Atom_site.Auth_alt_ID _Atom_site.Auth_atom_name _Atom_site.Details _Atom_site.Entry_ID _Atom_site.Conformer_family_coord_set_ID . 1 . 1 . 1 1 1 DC C1' C 3.707 -7.270 -5.845 . . . 1.0 . . . . . . . . . . . . A . 1 DC C1' . . . . . . . . . rr_1buf 1 . 1 . 2 . 1 1 1 DC C2 C 3.620 -4.984 -6.812 . . . 1.0 . . . . . . . . . . . . A . 1 DC C2 . . . . . . . . . rr_1buf 1 . 1 . 3 . 1 1 1 DC C2' C 3.460 -7.196 -4.314 . . . 1.0 . . . . . . . . . . . . A . 1 DC C2' . . . . . . . . . rr_1buf 1 . 1 . 4 . 1 1 1 DC C3' C 3.467 -8.651 -3.842 . . . 1.0 . . . . . . . . . . . . A . 1 DC C3' . . . . . . . . . rr_1buf 1 . 1 . 5 . 1 1 1 DC C4 C 1.559 -3.925 -7.158 . . . 1.0 . . . . . . . . . . . . A . 1 DC C4 . . . . . . . . . rr_1buf 1 . 1 . 6 . 1 1 1 DC C4' C 2.979 -9.355 -5.118 . . . 1.0 . . . . . . . . . . . . A . 1 DC C4' . . . . . . . . . rr_1buf 1 . 1 . 7 . 1 1 1 DC C5 C 0.844 -5.090 -6.734 . . . 1.0 . . . . . . . . . . . . A . 1 DC C5 . . . . . . . . . rr_1buf 1 . 1 . 8 . 1 1 1 DC C5' C 1.546 -9.886 -5.013 . . . 1.0 . . . . . . . . . . . . A . 1 DC C5' . . . . . . . . . rr_1buf 1 . 1 . 9 . 1 1 1 DC C6 C 1.588 -6.167 -6.392 . . . 1.0 . . . . . . . . . . . . A . 1 DC C6 . . . . . . . . . rr_1buf 1 . 1 . 10 . 1 1 1 DC H1' H 4.735 -7.325 -6.252 . . . 1.0 . . . . . . . . . . . . A . 1 DC H1' . . . . . . . . . rr_1buf 1 . 1 . 11 . 1 1 1 DC H2' H 2.570 -6.588 -4.010 . . . 1.0 . . . . . . . . . . . . A . 1 DC H2' . . . . . . . . . rr_1buf 1 . 1 . 12 . 1 1 1 DC H2'' H 4.346 -6.779 -3.866 . . . 1.0 . . . . . . . . . . . . A . 1 DC H2'' . . . . . . . . . rr_1buf 1 . 1 . 13 . 1 1 1 DC H3' H 2.740 -8.801 -3.011 . . . 1.0 . . . . . . . . . . . . A . 1 DC H3' . . . . . . . . . rr_1buf 1 . 1 . 14 . 1 1 1 DC H4' H 3.694 -10.160 -5.339 . . . 1.0 . . . . . . . . . . . . A . 1 DC H4' . . . . . . . . . rr_1buf 1 . 1 . 15 . 1 1 1 DC H41 H 1.413 -1.986 -7.725 . . . 1.0 . . . . . . . . . . . . A . 1 DC H41 . . . . . . . . . rr_1buf 1 . 1 . 16 . 1 1 1 DC H42 H -0.107 -2.780 -7.407 . . . 1.0 . . . . . . . . . . . . A . 1 DC H42 . . . . . . . . . rr_1buf 1 . 1 . 17 . 1 1 1 DC H5 H -0.233 -5.142 -6.666 . . . 1.0 . . . . . . . . . . . . A . 1 DC H5 . . . . . . . . . rr_1buf 1 . 1 . 18 . 1 1 1 DC H5' H 1.484 -10.591 -4.183 . . . 1.0 . . . . . . . . . . . . A . 1 DC H5' . . . . . . . . . rr_1buf 1 . 1 . 19 . 1 1 1 DC H5'' H 0.852 -9.066 -4.833 . . . 1.0 . . . . . . . . . . . . A . 1 DC H5'' . . . . . . . . . rr_1buf 1 . 1 . 20 . 1 1 1 DC H6 H 1.146 -7.064 -5.988 . . . 1.0 . . . . . . . . . . . . A . 1 DC H6 . . . . . . . . . rr_1buf 1 . 1 . 21 . 1 1 1 DC HO5' H 1.799 -11.281 -6.341 . . . 1.0 . . . . . . . . . . . . A . 1 DC HO5' . . . . . . . . . rr_1buf 1 . 1 . 22 . 1 1 1 DC N1 N 2.950 -6.147 -6.448 . . . 1.0 . . . . . . . . . . . . A . 1 DC N1 . . . . . . . . . rr_1buf 1 . 1 . 23 . 1 1 1 DC N3 N 2.897 -3.885 -7.170 . . . 1.0 . . . . . . . . . . . . A . 1 DC N3 . . . . . . . . . rr_1buf 1 . 1 . 24 . 1 1 1 DC N4 N 0.895 -2.823 -7.487 . . . 1.0 . . . . . . . . . . . . A . 1 DC N4 . . . . . . . . . rr_1buf 1 . 1 . 25 . 1 1 1 DC O2 O 4.847 -4.922 -6.789 . . . 1.0 . . . . . . . . . . . . A . 1 DC O2 . . . . . . . . . rr_1buf 1 . 1 . 26 . 1 1 1 DC O3' O 4.749 -9.110 -3.437 . . . 1.0 . . . . . . . . . . . . A . 1 DC O3' . . . . . . . . . rr_1buf 1 . 1 . 27 . 1 1 1 DC O4' O 3.175 -8.516 -6.246 . . . 1.0 . . . . . . . . . . . . A . 1 DC O4' . . . . . . . . . rr_1buf 1 . 1 . 28 . 1 1 1 DC O5' O 1.185 -10.557 -6.201 . . . 1.0 . . . . . . . . . . . . A . 1 DC O5' . . . . . . . . . rr_1buf 1 . 1 . 29 . 1 1 2 DA C1' C 5.986 -4.216 -0.892 . . . 1.0 . . . . . . . . . . . . A . 2 DA C1' . . . . . . . . . rr_1buf 1 . 1 . 30 . 1 1 2 DA C2 C 4.305 -1.007 -3.384 . . . 1.0 . . . . . . . . . . . . A . 2 DA C2 . . . . . . . . . rr_1buf 1 . 1 . 31 . 1 1 2 DA C2' C 5.959 -5.086 0.369 . . . 1.0 . . . . . . . . . . . . A . 2 DA C2' . . . . . . . . . rr_1buf 1 . 1 . 32 . 1 1 2 DA C3' C 7.319 -5.736 0.252 . . . 1.0 . . . . . . . . . . . . A . 2 DA C3' . . . . . . . . . rr_1buf 1 . 1 . 33 . 1 1 2 DA C4 C 4.283 -2.941 -2.289 . . . 1.0 . . . . . . . . . . . . A . 2 DA C4 . . . . . . . . . rr_1buf 1 . 1 . 34 . 1 1 2 DA C4' C 7.596 -5.834 -1.256 . . . 1.0 . . . . . . . . . . . . A . 2 DA C4' . . . . . . . . . rr_1buf 1 . 1 . 35 . 1 1 2 DA C5 C 3.055 -3.285 -2.787 . . . 1.0 . . . . . . . . . . . . A . 2 DA C5 . . . . . . . . . rr_1buf 1 . 1 . 36 . 1 1 2 DA C5' C 7.233 -7.168 -1.921 . . . 1.0 . . . . . . . . . . . . A . 2 DA C5' . . . . . . . . . rr_1buf 1 . 1 . 37 . 1 1 2 DA C6 C 2.485 -2.374 -3.691 . . . 1.0 . . . . . . . . . . . . A . 2 DA C6 . . . . . . . . . rr_1buf 1 . 1 . 38 . 1 1 2 DA C8 C 3.584 -4.823 -1.443 . . . 1.0 . . . . . . . . . . . . A . 2 DA C8 . . . . . . . . . rr_1buf 1 . 1 . 39 . 1 1 2 DA H1' H 6.486 -3.288 -0.635 . . . 1.0 . . . . . . . . . . . . A . 2 DA H1' . . . . . . . . . rr_1buf 1 . 1 . 40 . 1 1 2 DA H2 H 4.783 -0.071 -3.628 . . . 1.0 . . . . . . . . . . . . A . 2 DA H2 . . . . . . . . . rr_1buf 1 . 1 . 41 . 1 1 2 DA H2' H 5.186 -5.830 0.527 . . . 1.0 . . . . . . . . . . . . A . 2 DA H2' . . . . . . . . . rr_1buf 1 . 1 . 42 . 1 1 2 DA H2'' H 5.869 -4.472 1.239 . . . 1.0 . . . . . . . . . . . . A . 2 DA H2'' . . . . . . . . . rr_1buf 1 . 1 . 43 . 1 1 2 DA H3' H 7.298 -6.736 0.681 . . . 1.0 . . . . . . . . . . . . A . 2 DA H3' . . . . . . . . . rr_1buf 1 . 1 . 44 . 1 1 2 DA H4' H 8.637 -5.588 -1.481 . . . 1.0 . . . . . . . . . . . . A . 2 DA H4' . . . . . . . . . rr_1buf 1 . 1 . 45 . 1 1 2 DA H5' H 7.478 -7.137 -2.984 . . . 1.0 . . . . . . . . . . . . A . 2 DA H5' . . . . . . . . . rr_1buf 1 . 1 . 46 . 1 1 2 DA H5'' H 7.841 -7.937 -1.443 . . . 1.0 . . . . . . . . . . . . A . 2 DA H5'' . . . . . . . . . rr_1buf 1 . 1 . 47 . 1 1 2 DA H61 H 0.892 -1.910 -4.870 . . . 1.0 . . . . . . . . . . . . A . 2 DA H61 . . . . . . . . . rr_1buf 1 . 1 . 48 . 1 1 2 DA H62 H 0.768 -3.394 -3.939 . . . 1.0 . . . . . . . . . . . . A . 2 DA H62 . . . . . . . . . rr_1buf 1 . 1 . 49 . 1 1 2 DA H8 H 3.604 -5.700 -0.817 . . . 1.0 . . . . . . . . . . . . A . 2 DA H8 . . . . . . . . . rr_1buf 1 . 1 . 50 . 1 1 2 DA N1 N 3.128 -1.227 -3.966 . . . 1.0 . . . . . . . . . . . . A . 2 DA N1 . . . . . . . . . rr_1buf 1 . 1 . 51 . 1 1 2 DA N3 N 4.970 -1.797 -2.548 . . . 1.0 . . . . . . . . . . . . A . 2 DA N3 . . . . . . . . . rr_1buf 1 . 1 . 52 . 1 1 2 DA N6 N 1.302 -2.597 -4.252 . . . 1.0 . . . . . . . . . . . . A . 2 DA N6 . . . . . . . . . rr_1buf 1 . 1 . 53 . 1 1 2 DA N7 N 2.598 -4.475 -2.226 . . . 1.0 . . . . . . . . . . . . A . 2 DA N7 . . . . . . . . . rr_1buf 1 . 1 . 54 . 1 1 2 DA N9 N 4.656 -3.980 -1.471 . . . 1.0 . . . . . . . . . . . . A . 2 DA N9 . . . . . . . . . rr_1buf 1 . 1 . 55 . 1 1 2 DA O3' O 8.276 -4.883 0.853 . . . 1.0 . . . . . . . . . . . . A . 2 DA O3' . . . . . . . . . rr_1buf 1 . 1 . 56 . 1 1 2 DA O4' O 6.790 -4.849 -1.868 . . . 1.0 . . . . . . . . . . . . A . 2 DA O4' . . . . . . . . . rr_1buf 1 . 1 . 57 . 1 1 2 DA O5' O 5.851 -7.447 -1.767 . . . 1.0 . . . . . . . . . . . . A . 2 DA O5' . . . . . . . . . rr_1buf 1 . 1 . 58 . 1 1 2 DA OP1 O 6.341 -9.915 -1.652 . . . 1.0 . . . . . . . . . . . . A . 2 DA OP1 . . . . . . . . . rr_1buf 1 . 1 . 59 . 1 1 2 DA OP2 O 4.127 -9.091 -0.990 . . . 1.0 . . . . . . . . . . . . A . 2 DA OP2 . . . . . . . . . rr_1buf 1 . 1 . 60 . 1 1 2 DA P P 5.268 -8.932 -1.918 . . . 1.0 . . . . . . . . . . . . A . 2 DA P . . . . . . . . . rr_1buf 1 . 1 . 61 . 1 1 3 DA C1' C 6.163 -0.224 2.008 . . . 1.0 . . . . . . . . . . . . A . 3 DA C1' . . . . . . . . . rr_1buf 1 . 1 . 62 . 1 1 3 DA C2 C 2.854 0.965 -0.738 . . . 1.0 . . . . . . . . . . . . A . 3 DA C2 . . . . . . . . . rr_1buf 1 . 1 . 63 . 1 1 3 DA C2' C 6.170 -0.419 3.510 . . . 1.0 . . . . . . . . . . . . A . 3 DA C2' . . . . . . . . . rr_1buf 1 . 1 . 64 . 1 1 3 DA C3' C 7.602 -0.401 3.912 . . . 1.0 . . . . . . . . . . . . A . 3 DA C3' . . . . . . . . . rr_1buf 1 . 1 . 65 . 1 1 3 DA C4 C 4.021 -0.404 0.568 . . . 1.0 . . . . . . . . . . . . A . 3 DA C4 . . . . . . . . . rr_1buf 1 . 1 . 66 . 1 1 3 DA C4' C 8.266 -0.982 2.662 . . . 1.0 . . . . . . . . . . . . A . 3 DA C4' . . . . . . . . . rr_1buf 1 . 1 . 67 . 1 1 3 DA C5 C 3.137 -1.437 0.371 . . . 1.0 . . . . . . . . . . . . A . 3 DA C5 . . . . . . . . . rr_1buf 1 . 1 . 68 . 1 1 3 DA C5' C 8.983 -2.335 2.702 . . . 1.0 . . . . . . . . . . . . A . 3 DA C5' . . . . . . . . . rr_1buf 1 . 1 . 69 . 1 1 3 DA C6 C 2.037 -1.165 -0.455 . . . 1.0 . . . . . . . . . . . . A . 3 DA C6 . . . . . . . . . rr_1buf 1 . 1 . 70 . 1 1 3 DA C8 C 4.622 -2.193 1.642 . . . 1.0 . . . . . . . . . . . . A . 3 DA C8 . . . . . . . . . rr_1buf 1 . 1 . 71 . 1 1 3 DA H1' H 6.150 0.827 1.823 . . . 1.0 . . . . . . . . . . . . A . 3 DA H1' . . . . . . . . . rr_1buf 1 . 1 . 72 . 1 1 3 DA H2 H 2.714 1.929 -1.204 . . . 1.0 . . . . . . . . . . . . A . 3 DA H2 . . . . . . . . . rr_1buf 1 . 1 . 73 . 1 1 3 DA H2' H 5.728 -1.338 3.793 . . . 1.0 . . . . . . . . . . . . A . 3 DA H2' . . . . . . . . . rr_1buf 1 . 1 . 74 . 1 1 3 DA H2'' H 5.763 0.410 4.047 . . . 1.0 . . . . . . . . . . . . A . 3 DA H2'' . . . . . . . . . rr_1buf 1 . 1 . 75 . 1 1 3 DA H3' H 7.628 -1.101 4.757 . . . 1.0 . . . . . . . . . . . . A . 3 DA H3' . . . . . . . . . rr_1buf 1 . 1 . 76 . 1 1 3 DA H4' H 9.005 -0.234 2.390 . . . 1.0 . . . . . . . . . . . . A . 3 DA H4' . . . . . . . . . rr_1buf 1 . 1 . 77 . 1 1 3 DA H5' H 9.498 -2.444 1.746 . . . 1.0 . . . . . . . . . . . . A . 3 DA H5' . . . . . . . . . rr_1buf 1 . 1 . 78 . 1 1 3 DA H5'' H 9.732 -2.324 3.496 . . . 1.0 . . . . . . . . . . . . A . 3 DA H5'' . . . . . . . . . rr_1buf 1 . 1 . 79 . 1 1 3 DA H61 H 0.347 -1.904 -1.374 . . . 1.0 . . . . . . . . . . . . A . 3 DA H61 . . . . . . . . . rr_1buf 1 . 1 . 80 . 1 1 3 DA H62 H 1.267 -3.019 -0.381 . . . 1.0 . . . . . . . . . . . . A . 3 DA H62 . . . . . . . . . rr_1buf 1 . 1 . 81 . 1 1 3 DA H8 H 5.226 -2.803 2.283 . . . 1.0 . . . . . . . . . . . . A . 3 DA H8 . . . . . . . . . rr_1buf 1 . 1 . 82 . 1 1 3 DA N1 N 1.930 0.046 -1.010 . . . 1.0 . . . . . . . . . . . . A . 3 DA N1 . . . . . . . . . rr_1buf 1 . 1 . 83 . 1 1 3 DA N3 N 3.923 0.845 0.044 . . . 1.0 . . . . . . . . . . . . A . 3 DA N3 . . . . . . . . . rr_1buf 1 . 1 . 84 . 1 1 3 DA N6 N 1.117 -2.087 -0.740 . . . 1.0 . . . . . . . . . . . . A . 3 DA N6 . . . . . . . . . rr_1buf 1 . 1 . 85 . 1 1 3 DA N7 N 3.526 -2.579 1.055 . . . 1.0 . . . . . . . . . . . . A . 3 DA N7 . . . . . . . . . rr_1buf 1 . 1 . 86 . 1 1 3 DA N9 N 4.988 -0.901 1.415 . . . 1.0 . . . . . . . . . . . . A . 3 DA N9 . . . . . . . . . rr_1buf 1 . 1 . 87 . 1 1 3 DA O3' O 8.098 0.873 4.282 . . . 1.0 . . . . . . . . . . . . A . 3 DA O3' . . . . . . . . . rr_1buf 1 . 1 . 88 . 1 1 3 DA O4' O 7.358 -0.852 1.569 . . . 1.0 . . . . . . . . . . . . A . 3 DA O4' . . . . . . . . . rr_1buf 1 . 1 . 89 . 1 1 3 DA O5' O 8.116 -3.436 2.895 . . . 1.0 . . . . . . . . . . . . A . 3 DA O5' . . . . . . . . . rr_1buf 1 . 1 . 90 . 1 1 3 DA OP1 O 10.036 -5.058 2.670 . . . 1.0 . . . . . . . . . . . . A . 3 DA OP1 . . . . . . . . . rr_1buf 1 . 1 . 91 . 1 1 3 DA OP2 O 7.770 -5.928 3.109 . . . 1.0 . . . . . . . . . . . . A . 3 DA OP2 . . . . . . . . . rr_1buf 1 . 1 . 92 . 1 1 3 DA P P 8.585 -4.899 2.426 . . . 1.0 . . . . . . . . . . . . A . 3 DA P . . . . . . . . . rr_1buf 1 . 1 . 93 . 1 1 4 DT C1' C 3.120 2.770 3.130 . . . 1.0 . . . . . . . . . . . . A . 4 DT C1' . . . . . . . . . rr_1buf 1 . 1 . 94 . 1 1 4 DT C2 C 1.286 1.411 2.200 . . . 1.0 . . . . . . . . . . . . A . 4 DT C2 . . . . . . . . . rr_1buf 1 . 1 . 95 . 1 1 4 DT C2' C 2.778 3.380 4.454 . . . 1.0 . . . . . . . . . . . . A . 4 DT C2' . . . . . . . . . rr_1buf 1 . 1 . 96 . 1 1 4 DT C3' C 3.894 4.361 4.684 . . . 1.0 . . . . . . . . . . . . A . 4 DT C3' . . . . . . . . . rr_1buf 1 . 1 . 97 . 1 1 4 DT C4 C 1.072 -0.945 2.873 . . . 1.0 . . . . . . . . . . . . A . 4 DT C4 . . . . . . . . . rr_1buf 1 . 1 . 98 . 1 1 4 DT C4' C 5.030 3.627 3.985 . . . 1.0 . . . . . . . . . . . . A . 4 DT C4' . . . . . . . . . rr_1buf 1 . 1 . 99 . 1 1 4 DT C5 C 2.215 -0.735 3.752 . . . 1.0 . . . . . . . . . . . . A . 4 DT C5 . . . . . . . . . rr_1buf 1 . 1 . 100 . 1 1 4 DT C5' C 6.374 3.365 4.673 . . . 1.0 . . . . . . . . . . . . A . 4 DT C5' . . . . . . . . . rr_1buf 1 . 1 . 101 . 1 1 4 DT C6 C 2.851 0.468 3.750 . . . 1.0 . . . . . . . . . . . . A . 4 DT C6 . . . . . . . . . rr_1buf 1 . 1 . 102 . 1 1 4 DT C7 C 2.637 -1.841 4.707 . . . 1.0 . . . . . . . . . . . . A . 4 DT C7 . . . . . . . . . rr_1buf 1 . 1 . 103 . 1 1 4 DT H1' H 2.762 3.528 2.476 . . . 1.0 . . . . . . . . . . . . A . 4 DT H1' . . . . . . . . . rr_1buf 1 . 1 . 104 . 1 1 4 DT H2' H 2.867 2.631 5.225 . . . 1.0 . . . . . . . . . . . . A . 4 DT H2' . . . . . . . . . rr_1buf 1 . 1 . 105 . 1 1 4 DT H2'' H 1.788 3.798 4.415 . . . 1.0 . . . . . . . . . . . . A . 4 DT H2'' . . . . . . . . . rr_1buf 1 . 1 . 106 . 1 1 4 DT H3 H -0.231 0.197 1.717 . . . 1.0 . . . . . . . . . . . . A . 4 DT H3 . . . . . . . . . rr_1buf 1 . 1 . 107 . 1 1 4 DT H3' H 4.025 4.342 5.743 . . . 1.0 . . . . . . . . . . . . A . 4 DT H3' . . . . . . . . . rr_1buf 1 . 1 . 108 . 1 1 4 DT H4' H 5.320 4.365 3.281 . . . 1.0 . . . . . . . . . . . . A . 4 DT H4' . . . . . . . . . rr_1buf 1 . 1 . 109 . 1 1 4 DT H5' H 7.102 3.239 3.868 . . . 1.0 . . . . . . . . . . . . A . 4 DT H5' . . . . . . . . . rr_1buf 1 . 1 . 110 . 1 1 4 DT H5'' H 6.662 4.246 5.248 . . . 1.0 . . . . . . . . . . . . A . 4 DT H5'' . . . . . . . . . rr_1buf 1 . 1 . 111 . 1 1 4 DT H6 H 3.658 0.797 4.398 . . . 1.0 . . . . . . . . . . . . A . 4 DT H6 . . . . . . . . . rr_1buf 1 . 1 . 112 . 1 1 4 DT H71 H 1.852 -2.009 5.444 . . . 1.0 . . . . . . . . . . . . A . 4 DT H71 . . . . . . . . . rr_1buf 1 . 1 . 113 . 1 1 4 DT H72 H 2.781 -2.760 4.138 . . . 1.0 . . . . . . . . . . . . A . 4 DT H72 . . . . . . . . . rr_1buf 1 . 1 . 114 . 1 1 4 DT H73 H 3.568 -1.591 5.217 . . . 1.0 . . . . . . . . . . . . A . 4 DT H73 . . . . . . . . . rr_1buf 1 . 1 . 115 . 1 1 4 DT N1 N 2.441 1.486 2.957 . . . 1.0 . . . . . . . . . . . . A . 4 DT N1 . . . . . . . . . rr_1buf 1 . 1 . 116 . 1 1 4 DT N3 N 0.667 0.183 2.189 . . . 1.0 . . . . . . . . . . . . A . 4 DT N3 . . . . . . . . . rr_1buf 1 . 1 . 117 . 1 1 4 DT O2 O 0.810 2.361 1.592 . . . 1.0 . . . . . . . . . . . . A . 4 DT O2 . . . . . . . . . rr_1buf 1 . 1 . 118 . 1 1 4 DT O3' O 3.733 5.640 4.065 . . . 1.0 . . . . . . . . . . . . A . 4 DT O3' . . . . . . . . . rr_1buf 1 . 1 . 119 . 1 1 4 DT O4 O 0.463 -1.998 2.703 . . . 1.0 . . . . . . . . . . . . A . 4 DT O4 . . . . . . . . . rr_1buf 1 . 1 . 120 . 1 1 4 DT O4' O 4.530 2.662 3.085 . . . 1.0 . . . . . . . . . . . . A . 4 DT O4' . . . . . . . . . rr_1buf 1 . 1 . 121 . 1 1 4 DT O5' O 6.410 2.234 5.518 . . . 1.0 . . . . . . . . . . . . A . 4 DT O5' . . . . . . . . . rr_1buf 1 . 1 . 122 . 1 1 4 DT OP1 O 8.855 2.490 6.082 . . . 1.0 . . . . . . . . . . . . A . 4 DT OP1 . . . . . . . . . rr_1buf 1 . 1 . 123 . 1 1 4 DT OP2 O 7.681 0.425 6.753 . . . 1.0 . . . . . . . . . . . . A . 4 DT OP2 . . . . . . . . . rr_1buf 1 . 1 . 124 . 1 1 4 DT P P 7.817 1.494 5.739 . . . 1.0 . . . . . . . . . . . . A . 4 DT P . . . . . . . . . rr_1buf 1 . 1 . 125 . 1 1 5 DT C1' C -0.848 4.951 5.694 . . . 1.0 . . . . . . . . . . . . A . 5 DT C1' . . . . . . . . . rr_1buf 1 . 1 . 126 . 1 1 5 DT C2 C -1.600 2.677 5.068 . . . 1.0 . . . . . . . . . . . . A . 5 DT C2 . . . . . . . . . rr_1buf 1 . 1 . 127 . 1 1 5 DT C2' C -0.480 5.930 6.810 . . . 1.0 . . . . . . . . . . . . A . 5 DT C2' . . . . . . . . . rr_1buf 1 . 1 . 128 . 1 1 5 DT C3' C -1.046 7.217 6.183 . . . 1.0 . . . . . . . . . . . . A . 5 DT C3' . . . . . . . . . rr_1buf 1 . 1 . 129 . 1 1 5 DT C4 C -0.338 0.676 5.730 . . . 1.0 . . . . . . . . . . . . A . 5 DT C4 . . . . . . . . . rr_1buf 1 . 1 . 130 . 1 1 5 DT C4' C -0.873 6.976 4.669 . . . 1.0 . . . . . . . . . . . . A . 5 DT C4' . . . . . . . . . rr_1buf 1 . 1 . 131 . 1 1 5 DT C5 C 0.629 1.566 6.339 . . . 1.0 . . . . . . . . . . . . A . 5 DT C5 . . . . . . . . . rr_1buf 1 . 1 . 132 . 1 1 5 DT C5' C 0.506 7.476 4.183 . . . 1.0 . . . . . . . . . . . . A . 5 DT C5' . . . . . . . . . rr_1buf 1 . 1 . 133 . 1 1 5 DT C6 C 0.410 2.897 6.385 . . . 1.0 . . . . . . . . . . . . A . 5 DT C6 . . . . . . . . . rr_1buf 1 . 1 . 134 . 1 1 5 DT C7 C 1.908 1.015 6.927 . . . 1.0 . . . . . . . . . . . . A . 5 DT C7 . . . . . . . . . rr_1buf 1 . 1 . 135 . 1 1 5 DT H1' H 0.188 4.932 5.584 . . . 1.0 . . . . . . . . . . . . A . 5 DT H1' . . . . . . . . . rr_1buf 1 . 1 . 136 . 1 1 5 DT H2' H 0.566 6.156 6.917 . . . 1.0 . . . . . . . . . . . . A . 5 DT H2' . . . . . . . . . rr_1buf 1 . 1 . 137 . 1 1 5 DT H2'' H -0.728 5.530 7.785 . . . 1.0 . . . . . . . . . . . . A . 5 DT H2'' . . . . . . . . . rr_1buf 1 . 1 . 138 . 1 1 5 DT H3 H -2.061 0.729 4.608 . . . 1.0 . . . . . . . . . . . . A . 5 DT H3 . . . . . . . . . rr_1buf 1 . 1 . 139 . 1 1 5 DT H3' H -0.580 8.178 6.452 . . . 1.0 . . . . . . . . . . . . A . 5 DT H3' . . . . . . . . . rr_1buf 1 . 1 . 140 . 1 1 5 DT H4' H -1.658 7.463 4.102 . . . 1.0 . . . . . . . . . . . . A . 5 DT H4' . . . . . . . . . rr_1buf 1 . 1 . 141 . 1 1 5 DT H5' H 0.554 7.439 3.094 . . . 1.0 . . . . . . . . . . . . A . 5 DT H5' . . . . . . . . . rr_1buf 1 . 1 . 142 . 1 1 5 DT H5'' H 0.665 8.503 4.513 . . . 1.0 . . . . . . . . . . . . A . 5 DT H5'' . . . . . . . . . rr_1buf 1 . 1 . 143 . 1 1 5 DT H6 H 1.224 3.528 6.758 . . . 1.0 . . . . . . . . . . . . A . 5 DT H6 . . . . . . . . . rr_1buf 1 . 1 . 144 . 1 1 5 DT H71 H 2.634 1.782 7.193 . . . 1.0 . . . . . . . . . . . . A . 5 DT H71 . . . . . . . . . rr_1buf 1 . 1 . 145 . 1 1 5 DT H72 H 1.637 0.495 7.846 . . . 1.0 . . . . . . . . . . . . A . 5 DT H72 . . . . . . . . . rr_1buf 1 . 1 . 146 . 1 1 5 DT H73 H 2.365 0.281 6.275 . . . 1.0 . . . . . . . . . . . . A . 5 DT H73 . . . . . . . . . rr_1buf 1 . 1 . 147 . 1 1 5 DT N1 N -0.713 3.467 5.802 . . . 1.0 . . . . . . . . . . . . A . 5 DT N1 . . . . . . . . . rr_1buf 1 . 1 . 148 . 1 1 5 DT N3 N -1.371 1.312 5.078 . . . 1.0 . . . . . . . . . . . . A . 5 DT N3 . . . . . . . . . rr_1buf 1 . 1 . 149 . 1 1 5 DT O2 O -2.553 3.129 4.439 . . . 1.0 . . . . . . . . . . . . A . 5 DT O2 . . . . . . . . . rr_1buf 1 . 1 . 150 . 1 1 5 DT O3' O -2.437 7.275 6.356 . . . 1.0 . . . . . . . . . . . . A . 5 DT O3' . . . . . . . . . rr_1buf 1 . 1 . 151 . 1 1 5 DT O4 O -0.271 -0.550 5.728 . . . 1.0 . . . . . . . . . . . . A . 5 DT O4 . . . . . . . . . rr_1buf 1 . 1 . 152 . 1 1 5 DT O4' O -0.837 5.575 4.433 . . . 1.0 . . . . . . . . . . . . A . 5 DT O4' . . . . . . . . . rr_1buf 1 . 1 . 153 . 1 1 5 DT O5' O 1.491 6.609 4.720 . . . 1.0 . . . . . . . . . . . . A . 5 DT O5' . . . . . . . . . rr_1buf 1 . 1 . 154 . 1 1 5 DT OP1 O 3.351 8.124 3.991 . . . 1.0 . . . . . . . . . . . . A . 5 DT OP1 . . . . . . . . . rr_1buf 1 . 1 . 155 . 1 1 5 DT OP2 O 3.498 6.993 6.173 . . . 1.0 . . . . . . . . . . . . A . 5 DT OP2 . . . . . . . . . rr_1buf 1 . 1 . 156 . 1 1 5 DT P P 3.045 6.904 4.768 . . . 1.0 . . . . . . . . . . . . A . 5 DT P . . . . . . . . . rr_1buf 1 . 1 . 157 . 1 1 6 DG C1' C -6.269 4.433 6.423 . . . 1.0 . . . . . . . . . . . . A . 6 DG C1' . . . . . . . . . rr_1buf 1 . 1 . 158 . 1 1 6 DG C2 C -5.697 0.096 6.411 . . . 1.0 . . . . . . . . . . . . A . 6 DG C2 . . . . . . . . . rr_1buf 1 . 1 . 159 . 1 1 6 DG C2' C -6.569 4.936 7.835 . . . 1.0 . . . . . . . . . . . . A . 6 DG C2' . . . . . . . . . rr_1buf 1 . 1 . 160 . 1 1 6 DG C3' C -7.181 6.279 7.502 . . . 1.0 . . . . . . . . . . . . A . 6 DG C3' . . . . . . . . . rr_1buf 1 . 1 . 161 . 1 1 6 DG C4 C -5.020 2.232 6.595 . . . 1.0 . . . . . . . . . . . . A . 6 DG C4 . . . . . . . . . rr_1buf 1 . 1 . 162 . 1 1 6 DG C4' C -6.529 6.691 6.188 . . . 1.0 . . . . . . . . . . . . A . 6 DG C4' . . . . . . . . . rr_1buf 1 . 1 . 163 . 1 1 6 DG C5 C -3.829 1.907 7.197 . . . 1.0 . . . . . . . . . . . . A . 6 DG C5 . . . . . . . . . rr_1buf 1 . 1 . 164 . 1 1 6 DG C5' C -5.419 7.735 6.348 . . . 1.0 . . . . . . . . . . . . A . 6 DG C5' . . . . . . . . . rr_1buf 1 . 1 . 165 . 1 1 6 DG C6 C -3.520 0.532 7.422 . . . 1.0 . . . . . . . . . . . . A . 6 DG C6 . . . . . . . . . rr_1buf 1 . 1 . 166 . 1 1 6 DG C8 C -3.876 4.025 7.077 . . . 1.0 . . . . . . . . . . . . A . 6 DG C8 . . . . . . . . . rr_1buf 1 . 1 . 167 . 1 1 6 DG H1 H -4.345 -1.318 7.109 . . . 1.0 . . . . . . . . . . . . A . 6 DG H1 . . . . . . . . . rr_1buf 1 . 1 . 168 . 1 1 6 DG H1' H -7.154 3.961 6.005 . . . 1.0 . . . . . . . . . . . . A . 6 DG H1' . . . . . . . . . rr_1buf 1 . 1 . 169 . 1 1 6 DG H2' H -5.691 4.976 8.510 . . . 1.0 . . . . . . . . . . . . A . 6 DG H2' . . . . . . . . . rr_1buf 1 . 1 . 170 . 1 1 6 DG H2'' H -7.323 4.300 8.286 . . . 1.0 . . . . . . . . . . . . A . 6 DG H2'' . . . . . . . . . rr_1buf 1 . 1 . 171 . 1 1 6 DG H21 H -6.428 -1.807 6.227 . . . 1.0 . . . . . . . . . . . . A . 6 DG H21 . . . . . . . . . rr_1buf 1 . 1 . 172 . 1 1 6 DG H22 H -7.408 -0.520 5.549 . . . 1.0 . . . . . . . . . . . . A . 6 DG H22 . . . . . . . . . rr_1buf 1 . 1 . 173 . 1 1 6 DG H3' H -6.806 6.951 8.265 . . . 1.0 . . . . . . . . . . . . A . 6 DG H3' . . . . . . . . . rr_1buf 1 . 1 . 174 . 1 1 6 DG H4' H -7.339 7.028 5.529 . . . 1.0 . . . . . . . . . . . . A . 6 DG H4' . . . . . . . . . rr_1buf 1 . 1 . 175 . 1 1 6 DG H5' H -4.835 7.763 5.427 . . . 1.0 . . . . . . . . . . . . A . 6 DG H5' . . . . . . . . . rr_1buf 1 . 1 . 176 . 1 1 6 DG H5'' H -5.858 8.718 6.519 . . . 1.0 . . . . . . . . . . . . A . 6 DG H5'' . . . . . . . . . rr_1buf 1 . 1 . 177 . 1 1 6 DG H8 H -3.686 5.085 7.206 . . . 1.0 . . . . . . . . . . . . A . 6 DG H8 . . . . . . . . . rr_1buf 1 . 1 . 178 . 1 1 6 DG HO3' H -8.831 5.589 6.741 . . . 1.0 . . . . . . . . . . . . A . 6 DG HO3' . . . . . . . . . rr_1buf 1 . 1 . 179 . 1 1 6 DG N1 N -4.530 -0.321 7.004 . . . 1.0 . . . . . . . . . . . . A . 6 DG N1 . . . . . . . . . rr_1buf 1 . 1 . 180 . 1 1 6 DG N2 N -6.575 -0.825 6.028 . . . 1.0 . . . . . . . . . . . . A . 6 DG N2 . . . . . . . . . rr_1buf 1 . 1 . 181 . 1 1 6 DG N3 N -5.998 1.378 6.191 . . . 1.0 . . . . . . . . . . . . A . 6 DG N3 . . . . . . . . . rr_1buf 1 . 1 . 182 . 1 1 6 DG N7 N -3.119 3.062 7.524 . . . 1.0 . . . . . . . . . . . . A . 6 DG N7 . . . . . . . . . rr_1buf 1 . 1 . 183 . 1 1 6 DG N9 N -5.063 3.603 6.546 . . . 1.0 . . . . . . . . . . . . A . 6 DG N9 . . . . . . . . . rr_1buf 1 . 1 . 184 . 1 1 6 DG O3' O -8.591 6.218 7.425 . . . 1.0 . . . . . . . . . . . . A . 6 DG O3' . . . . . . . . . rr_1buf 1 . 1 . 185 . 1 1 6 DG O4' O -6.088 5.520 5.544 . . . 1.0 . . . . . . . . . . . . A . 6 DG O4' . . . . . . . . . rr_1buf 1 . 1 . 186 . 1 1 6 DG O5' O -4.617 7.395 7.464 . . . 1.0 . . . . . . . . . . . . A . 6 DG O5' . . . . . . . . . rr_1buf 1 . 1 . 187 . 1 1 6 DG O6 O -2.507 0.055 7.929 . . . 1.0 . . . . . . . . . . . . A . 6 DG O6 . . . . . . . . . rr_1buf 1 . 1 . 188 . 1 1 6 DG OP1 O -3.122 9.419 7.507 . . . 1.0 . . . . . . . . . . . . A . 6 DG OP1 . . . . . . . . . rr_1buf 1 . 1 . 189 . 1 1 6 DG OP2 O -2.547 7.443 8.875 . . . 1.0 . . . . . . . . . . . . A . 6 DG OP2 . . . . . . . . . rr_1buf 1 . 1 . 190 . 1 1 6 DG P P -3.135 7.944 7.615 . . . 1.0 . . . . . . . . . . . . A . 6 DG P . . . . . . . . . rr_1buf 1 . 1 . 191 . 2 1 1 DC C1' C -5.611 -6.075 5.712 . . . 1.0 . . . . . . . . . . . . B . 7 DC C1' . . . . . . . . . rr_1buf 1 . 1 . 192 . 2 1 1 DC C2 C -4.888 -3.932 6.735 . . . 1.0 . . . . . . . . . . . . B . 7 DC C2 . . . . . . . . . rr_1buf 1 . 1 . 193 . 2 1 1 DC C2' C -5.345 -6.040 4.183 . . . 1.0 . . . . . . . . . . . . B . 7 DC C2' . . . . . . . . . rr_1buf 1 . 1 . 194 . 2 1 1 DC C3' C -5.756 -7.425 3.678 . . . 1.0 . . . . . . . . . . . . B . 7 DC C3' . . . . . . . . . rr_1buf 1 . 1 . 195 . 2 1 1 DC C4 C -2.614 -3.495 7.091 . . . 1.0 . . . . . . . . . . . . B . 7 DC C4 . . . . . . . . . rr_1buf 1 . 1 . 196 . 2 1 1 DC C4' C -5.490 -8.263 4.940 . . . 1.0 . . . . . . . . . . . . B . 7 DC C4' . . . . . . . . . rr_1buf 1 . 1 . 197 . 2 1 1 DC C5 C -2.251 -4.802 6.633 . . . 1.0 . . . . . . . . . . . . B . 7 DC C5 . . . . . . . . . rr_1buf 1 . 1 . 198 . 2 1 1 DC C5' C -4.266 -9.178 4.847 . . . 1.0 . . . . . . . . . . . . B . 7 DC C5' . . . . . . . . . rr_1buf 1 . 1 . 199 . 2 1 1 DC C6 C -3.265 -5.622 6.270 . . . 1.0 . . . . . . . . . . . . B . 7 DC C6 . . . . . . . . . rr_1buf 1 . 1 . 200 . 2 1 1 DC H1' H -6.618 -5.847 6.118 . . . 1.0 . . . . . . . . . . . . B . 7 DC H1' . . . . . . . . . rr_1buf 1 . 1 . 201 . 2 1 1 DC H2' H -4.321 -5.698 3.888 . . . 1.0 . . . . . . . . . . . . B . 7 DC H2' . . . . . . . . . rr_1buf 1 . 1 . 202 . 2 1 1 DC H2'' H -6.077 -5.382 3.744 . . . 1.0 . . . . . . . . . . . . B . 7 DC H2'' . . . . . . . . . rr_1buf 1 . 1 . 203 . 2 1 1 DC H3' H -5.097 -7.755 2.843 . . . 1.0 . . . . . . . . . . . . B . 7 DC H3' . . . . . . . . . rr_1buf 1 . 1 . 204 . 2 1 1 DC H4' H -6.404 -8.836 5.149 . . . 1.0 . . . . . . . . . . . . B . 7 DC H4' . . . . . . . . . rr_1buf 1 . 1 . 205 . 2 1 1 DC H41 H -1.936 -1.688 7.703 . . . 1.0 . . . . . . . . . . . . B . 7 DC H41 . . . . . . . . . rr_1buf 1 . 1 . 206 . 2 1 1 DC H42 H -0.695 -2.864 7.354 . . . 1.0 . . . . . . . . . . . . B . 7 DC H42 . . . . . . . . . rr_1buf 1 . 1 . 207 . 2 1 1 DC H5 H -1.231 -5.149 6.557 . . . 1.0 . . . . . . . . . . . . B . 7 DC H5 . . . . . . . . . rr_1buf 1 . 1 . 208 . 2 1 1 DC H5' H -3.383 -8.597 4.581 . . . 1.0 . . . . . . . . . . . . B . 7 DC H5' . . . . . . . . . rr_1buf 1 . 1 . 209 . 2 1 1 DC H5'' H -4.101 -9.663 5.809 . . . 1.0 . . . . . . . . . . . . B . 7 DC H5'' . . . . . . . . . rr_1buf 1 . 1 . 210 . 2 1 1 DC H6 H -3.081 -6.595 5.842 . . . 1.0 . . . . . . . . . . . . B . 7 DC H6 . . . . . . . . . rr_1buf 1 . 1 . 211 . 2 1 1 DC HO5' H -3.705 -10.736 3.831 . . . 1.0 . . . . . . . . . . . . B . 7 DC HO5' . . . . . . . . . rr_1buf 1 . 1 . 212 . 2 1 1 DC N1 N -4.569 -5.225 6.337 . . . 1.0 . . . . . . . . . . . . B . 7 DC N1 . . . . . . . . . rr_1buf 1 . 1 . 213 . 2 1 1 DC N3 N -3.888 -3.087 7.115 . . . 1.0 . . . . . . . . . . . . B . 7 DC N3 . . . . . . . . . rr_1buf 1 . 1 . 214 . 2 1 1 DC N4 N -1.670 -2.630 7.441 . . . 1.0 . . . . . . . . . . . . B . 7 DC N4 . . . . . . . . . rr_1buf 1 . 1 . 215 . 2 1 1 DC O2 O -6.049 -3.530 6.724 . . . 1.0 . . . . . . . . . . . . B . 7 DC O2 . . . . . . . . . rr_1buf 1 . 1 . 216 . 2 1 1 DC O3' O -7.114 -7.496 3.267 . . . 1.0 . . . . . . . . . . . . B . 7 DC O3' . . . . . . . . . rr_1buf 1 . 1 . 217 . 2 1 1 DC O4' O -5.450 -7.428 6.086 . . . 1.0 . . . . . . . . . . . . B . 7 DC O4' . . . . . . . . . rr_1buf 1 . 1 . 218 . 2 1 1 DC O5' O -4.481 -10.173 3.869 . . . 1.0 . . . . . . . . . . . . B . 7 DC O5' . . . . . . . . . rr_1buf 1 . 1 . 219 . 2 1 2 DA C1' C -6.935 -2.403 0.832 . . . 1.0 . . . . . . . . . . . . B . 8 DA C1' . . . . . . . . . rr_1buf 1 . 1 . 220 . 2 1 2 DA C2 C -4.437 0.155 3.392 . . . 1.0 . . . . . . . . . . . . B . 8 DA C2 . . . . . . . . . rr_1buf 1 . 1 . 221 . 2 1 2 DA C2' C -7.145 -3.217 -0.449 . . . 1.0 . . . . . . . . . . . . B . 8 DA C2' . . . . . . . . . rr_1buf 1 . 1 . 222 . 2 1 2 DA C3' C -8.633 -3.465 -0.344 . . . 1.0 . . . . . . . . . . . . B . 8 DA C3' . . . . . . . . . rr_1buf 1 . 1 . 223 . 2 1 2 DA C4 C -4.949 -1.683 2.253 . . . 1.0 . . . . . . . . . . . . B . 8 DA C4 . . . . . . . . . rr_1buf 1 . 1 . 224 . 2 1 2 DA C4' C -8.934 -3.517 1.162 . . . 1.0 . . . . . . . . . . . . B . 8 DA C4' . . . . . . . . . rr_1buf 1 . 1 . 225 . 2 1 2 DA C5 C -3.867 -2.365 2.739 . . . 1.0 . . . . . . . . . . . . B . 8 DA C5 . . . . . . . . . rr_1buf 1 . 1 . 226 . 2 1 2 DA C5' C -8.959 -4.913 1.796 . . . 1.0 . . . . . . . . . . . . B . 8 DA C5' . . . . . . . . . rr_1buf 1 . 1 . 227 . 2 1 2 DA C6 C -3.070 -1.669 3.662 . . . 1.0 . . . . . . . . . . . . B . 8 DA C6 . . . . . . . . . rr_1buf 1 . 1 . 228 . 2 1 2 DA C8 C -4.798 -3.666 1.363 . . . 1.0 . . . . . . . . . . . . B . 8 DA C8 . . . . . . . . . rr_1buf 1 . 1 . 229 . 2 1 2 DA H1' H -7.156 -1.366 0.597 . . . 1.0 . . . . . . . . . . . . B . 8 DA H1' . . . . . . . . . rr_1buf 1 . 1 . 230 . 2 1 2 DA H2 H -4.637 1.182 3.658 . . . 1.0 . . . . . . . . . . . . B . 8 DA H2 . . . . . . . . . rr_1buf 1 . 1 . 231 . 2 1 2 DA H2' H -6.609 -4.143 -0.626 . . . 1.0 . . . . . . . . . . . . B . 8 DA H2' . . . . . . . . . rr_1buf 1 . 1 . 232 . 2 1 2 DA H2'' H -6.884 -2.633 -1.304 . . . 1.0 . . . . . . . . . . . . B . 8 DA H2'' . . . . . . . . . rr_1buf 1 . 1 . 233 . 2 1 2 DA H3' H -8.890 -4.422 -0.796 . . . 1.0 . . . . . . . . . . . . B . 8 DA H3' . . . . . . . . . rr_1buf 1 . 1 . 234 . 2 1 2 DA H4' H -9.866 -2.995 1.394 . . . 1.0 . . . . . . . . . . . . B . 8 DA H4' . . . . . . . . . rr_1buf 1 . 1 . 235 . 2 1 2 DA H5' H -9.194 -4.839 2.858 . . . 1.0 . . . . . . . . . . . . B . 8 DA H5' . . . . . . . . . rr_1buf 1 . 1 . 236 . 2 1 2 DA H5'' H -9.752 -5.474 1.299 . . . 1.0 . . . . . . . . . . . . B . 8 DA H5'' . . . . . . . . . rr_1buf 1 . 1 . 237 . 2 1 2 DA H61 H -1.413 -1.694 4.846 . . . 1.0 . . . . . . . . . . . . B . 8 DA H61 . . . . . . . . . rr_1buf 1 . 1 . 238 . 2 1 2 DA H62 H -1.705 -3.132 3.881 . . . 1.0 . . . . . . . . . . . . B . 8 DA H62 . . . . . . . . . rr_1buf 1 . 1 . 239 . 2 1 2 DA H8 H -5.059 -4.488 0.717 . . . 1.0 . . . . . . . . . . . . B . 8 DA H8 . . . . . . . . . rr_1buf 1 . 1 . 240 . 2 1 2 DA N1 N -3.369 -0.395 3.965 . . . 1.0 . . . . . . . . . . . . B . 8 DA N1 . . . . . . . . . rr_1buf 1 . 1 . 241 . 2 1 2 DA N3 N -5.292 -0.400 2.540 . . . 1.0 . . . . . . . . . . . . B . 8 DA N3 . . . . . . . . . rr_1buf 1 . 1 . 242 . 2 1 2 DA N6 N -1.997 -2.226 4.213 . . . 1.0 . . . . . . . . . . . . B . 8 DA N6 . . . . . . . . . rr_1buf 1 . 1 . 243 . 2 1 2 DA N7 N -3.757 -3.623 2.150 . . . 1.0 . . . . . . . . . . . . B . 8 DA N7 . . . . . . . . . rr_1buf 1 . 1 . 244 . 2 1 2 DA N9 N -5.594 -2.559 1.413 . . . 1.0 . . . . . . . . . . . . B . 8 DA N9 . . . . . . . . . rr_1buf 1 . 1 . 245 . 2 1 2 DA O3' O -9.313 -2.367 -0.925 . . . 1.0 . . . . . . . . . . . . B . 8 DA O3' . . . . . . . . . rr_1buf 1 . 1 . 246 . 2 1 2 DA O4' O -7.888 -2.808 1.795 . . . 1.0 . . . . . . . . . . . . B . 8 DA O4' . . . . . . . . . rr_1buf 1 . 1 . 247 . 2 1 2 DA O5' O -7.706 -5.559 1.637 . . . 1.0 . . . . . . . . . . . . B . 8 DA O5' . . . . . . . . . rr_1buf 1 . 1 . 248 . 2 1 2 DA OP1 O -8.856 -7.795 1.468 . . . 1.0 . . . . . . . . . . . . B . 8 DA OP1 . . . . . . . . . rr_1buf 1 . 1 . 249 . 2 1 2 DA OP2 O -6.497 -7.596 0.821 . . . 1.0 . . . . . . . . . . . . B . 8 DA OP2 . . . . . . . . . rr_1buf 1 . 1 . 250 . 2 1 2 DA P P -7.555 -7.150 1.753 . . . 1.0 . . . . . . . . . . . . B . 8 DA P . . . . . . . . . rr_1buf 1 . 1 . 251 . 2 1 3 DA C1' C -5.985 1.546 -1.977 . . . 1.0 . . . . . . . . . . . . B . 9 DA C1' . . . . . . . . . rr_1buf 1 . 1 . 252 . 2 1 3 DA C2 C -2.485 1.706 0.785 . . . 1.0 . . . . . . . . . . . . B . 9 DA C2 . . . . . . . . . rr_1buf 1 . 1 . 253 . 2 1 3 DA C2' C -6.041 1.395 -3.484 . . . 1.0 . . . . . . . . . . . . B . 9 DA C2' . . . . . . . . . rr_1buf 1 . 1 . 254 . 2 1 3 DA C3' C -7.410 1.819 -3.881 . . . 1.0 . . . . . . . . . . . . B . 9 DA C3' . . . . . . . . . rr_1buf 1 . 1 . 255 . 2 1 3 DA C4 C -3.983 0.745 -0.548 . . . 1.0 . . . . . . . . . . . . B . 9 DA C4 . . . . . . . . . rr_1buf 1 . 1 . 256 . 2 1 3 DA C4' C -8.213 1.418 -2.642 . . . 1.0 . . . . . . . . . . . . B . 9 DA C4' . . . . . . . . . rr_1buf 1 . 1 . 257 . 2 1 3 DA C5 C -3.422 -0.497 -0.376 . . . 1.0 . . . . . . . . . . . . B . 9 DA C5 . . . . . . . . . rr_1buf 1 . 1 . 258 . 2 1 3 DA C5' C -9.278 0.319 -2.712 . . . 1.0 . . . . . . . . . . . . B . 9 DA C5' . . . . . . . . . rr_1buf 1 . 1 . 259 . 2 1 3 DA C6 C -2.293 -0.561 0.452 . . . 1.0 . . . . . . . . . . . . B . 9 DA C6 . . . . . . . . . rr_1buf 1 . 1 . 260 . 2 1 3 DA C8 C -5.054 -0.781 -1.660 . . . 1.0 . . . . . . . . . . . . B . 9 DA C8 . . . . . . . . . rr_1buf 1 . 1 . 261 . 2 1 3 DA H1' H -5.681 2.548 -1.769 . . . 1.0 . . . . . . . . . . . . B . 9 DA H1' . . . . . . . . . rr_1buf 1 . 1 . 262 . 2 1 3 DA H2 H -2.085 2.582 1.273 . . . 1.0 . . . . . . . . . . . . B . 9 DA H2 . . . . . . . . . rr_1buf 1 . 1 . 263 . 2 1 3 DA H2' H -5.871 0.395 -3.789 . . . 1.0 . . . . . . . . . . . . B . 9 DA H2' . . . . . . . . . rr_1buf 1 . 1 . 264 . 2 1 3 DA H2'' H -5.417 2.089 -4.003 . . . 1.0 . . . . . . . . . . . . B . 9 DA H2'' . . . . . . . . . rr_1buf 1 . 1 . 265 . 2 1 3 DA H3' H -7.627 1.172 -4.741 . . . 1.0 . . . . . . . . . . . . B . 9 DA H3' . . . . . . . . . rr_1buf 1 . 1 . 266 . 2 1 3 DA H4' H -8.717 2.336 -2.352 . . . 1.0 . . . . . . . . . . . . B . 9 DA H4' . . . . . . . . . rr_1buf 1 . 1 . 267 . 2 1 3 DA H5' H -9.806 0.334 -1.756 . . . 1.0 . . . . . . . . . . . . B . 9 DA H5' . . . . . . . . . rr_1buf 1 . 1 . 268 . 2 1 3 DA H5'' H -9.992 0.555 -3.502 . . . 1.0 . . . . . . . . . . . . B . 9 DA H5'' . . . . . . . . . rr_1buf 1 . 1 . 269 . 2 1 3 DA H61 H -0.878 -1.761 1.349 . . . 1.0 . . . . . . . . . . . . B . 9 DA H61 . . . . . . . . . rr_1buf 1 . 1 . 270 . 2 1 3 DA H62 H -2.069 -2.553 0.334 . . . 1.0 . . . . . . . . . . . . B . 9 DA H62 . . . . . . . . . rr_1buf 1 . 1 . 271 . 2 1 3 DA H8 H -5.802 -1.185 -2.314 . . . 1.0 . . . . . . . . . . . . B . 9 DA H8 . . . . . . . . . rr_1buf 1 . 1 . 272 . 2 1 3 DA N1 N -1.855 0.561 1.034 . . . 1.0 . . . . . . . . . . . . B . 9 DA N1 . . . . . . . . . rr_1buf 1 . 1 . 273 . 2 1 3 DA N3 N -3.543 1.906 0.004 . . . 1.0 . . . . . . . . . . . . B . 9 DA N3 . . . . . . . . . rr_1buf 1 . 1 . 274 . 2 1 3 DA N6 N -1.666 -1.708 0.714 . . . 1.0 . . . . . . . . . . . . B . 9 DA N6 . . . . . . . . . rr_1buf 1 . 1 . 275 . 2 1 3 DA N7 N -4.111 -1.470 -1.085 . . . 1.0 . . . . . . . . . . . . B . 9 DA N7 . . . . . . . . . rr_1buf 1 . 1 . 276 . 2 1 3 DA N9 N -5.047 0.556 -1.403 . . . 1.0 . . . . . . . . . . . . B . 9 DA N9 . . . . . . . . . rr_1buf 1 . 1 . 277 . 2 1 3 DA O3' O -7.531 3.189 -4.222 . . . 1.0 . . . . . . . . . . . . B . 9 DA O3' . . . . . . . . . rr_1buf 1 . 1 . 278 . 2 1 3 DA O4' O -7.310 1.266 -1.549 . . . 1.0 . . . . . . . . . . . . B . 9 DA O4' . . . . . . . . . rr_1buf 1 . 1 . 279 . 2 1 3 DA O5' O -8.749 -0.975 -2.933 . . . 1.0 . . . . . . . . . . . . B . 9 DA O5' . . . . . . . . . rr_1buf 1 . 1 . 280 . 2 1 3 DA OP1 O -11.043 -2.009 -2.741 . . . 1.0 . . . . . . . . . . . . B . 9 DA OP1 . . . . . . . . . rr_1buf 1 . 1 . 281 . 2 1 3 DA OP2 O -9.104 -3.460 -3.204 . . . 1.0 . . . . . . . . . . . . B . 9 DA OP2 . . . . . . . . . rr_1buf 1 . 1 . 282 . 2 1 3 DA P P -9.607 -2.262 -2.497 . . . 1.0 . . . . . . . . . . . . B . 9 DA P . . . . . . . . . rr_1buf 1 . 1 . 283 . 2 1 4 DT C1' C -2.226 3.600 -3.042 . . . 1.0 . . . . . . . . . . . . B . 10 DT C1' . . . . . . . . . rr_1buf 1 . 1 . 284 . 2 1 4 DT C2 C -0.846 1.762 -2.147 . . . 1.0 . . . . . . . . . . . . B . 10 DT C2 . . . . . . . . . rr_1buf 1 . 1 . 285 . 2 1 4 DT C2' C -1.722 4.119 -4.352 . . . 1.0 . . . . . . . . . . . . B . 10 DT C2' . . . . . . . . . rr_1buf 1 . 1 . 286 . 2 1 4 DT C3' C -2.521 5.377 -4.557 . . . 1.0 . . . . . . . . . . . . B . 10 DT C3' . . . . . . . . . rr_1buf 1 . 1 . 287 . 2 1 4 DT C4 C -1.293 -0.543 -2.874 . . . 1.0 . . . . . . . . . . . . B . 10 DT C4 . . . . . . . . . rr_1buf 1 . 1 . 288 . 2 1 4 DT C4' C -3.819 4.972 -3.872 . . . 1.0 . . . . . . . . . . . . B . 10 DT C4' . . . . . . . . . rr_1buf 1 . 1 . 289 . 2 1 4 DT C5 C -2.330 -0.004 -3.745 . . . 1.0 . . . . . . . . . . . . B . 10 DT C5 . . . . . . . . . rr_1buf 1 . 1 . 290 . 2 1 4 DT C5' C -5.180 5.111 -4.561 . . . 1.0 . . . . . . . . . . . . B . 10 DT C5' . . . . . . . . . rr_1buf 1 . 1 . 291 . 2 1 4 DT C6 C -2.605 1.327 -3.714 . . . 1.0 . . . . . . . . . . . . B . 10 DT C6 . . . . . . . . . rr_1buf 1 . 1 . 292 . 2 1 4 DT C7 C -3.038 -0.927 -4.725 . . . 1.0 . . . . . . . . . . . . B . 10 DT C7 . . . . . . . . . rr_1buf 1 . 1 . 293 . 2 1 4 DT H1' H -1.673 4.212 -2.371 . . . 1.0 . . . . . . . . . . . . B . 10 DT H1' . . . . . . . . . rr_1buf 1 . 1 . 294 . 2 1 4 DT H2' H -2.014 3.442 -5.140 . . . 1.0 . . . . . . . . . . . . B . 10 DT H2' . . . . . . . . . rr_1buf 1 . 1 . 295 . 2 1 4 DT H2'' H -0.655 4.244 -4.307 . . . 1.0 . . . . . . . . . . . . B . 10 DT H2'' . . . . . . . . . rr_1buf 1 . 1 . 296 . 2 1 4 DT H3 H 0.271 0.164 -1.695 . . . 1.0 . . . . . . . . . . . . B . 10 DT H3 . . . . . . . . . rr_1buf 1 . 1 . 297 . 2 1 4 DT H3' H -2.648 5.419 -5.616 . . . 1.0 . . . . . . . . . . . . B . 10 DT H3' . . . . . . . . . rr_1buf 1 . 1 . 298 . 2 1 4 DT H4' H -3.895 5.746 -3.151 . . . 1.0 . . . . . . . . . . . . B . 10 DT H4' . . . . . . . . . rr_1buf 1 . 1 . 299 . 2 1 4 DT H5' H -5.917 5.175 -3.758 . . . 1.0 . . . . . . . . . . . . B . 10 DT H5' . . . . . . . . . rr_1buf 1 . 1 . 300 . 2 1 4 DT H5'' H -5.210 6.049 -5.116 . . . 1.0 . . . . . . . . . . . . B . 10 DT H5'' . . . . . . . . . rr_1buf 1 . 1 . 301 . 2 1 4 DT H6 H -3.287 1.883 -4.352 . . . 1.0 . . . . . . . . . . . . B . 10 DT H6 . . . . . . . . . rr_1buf 1 . 1 . 302 . 2 1 4 DT H71 H -3.861 -0.417 -5.226 . . . 1.0 . . . . . . . . . . . . B . 10 DT H71 . . . . . . . . . rr_1buf 1 . 1 . 303 . 2 1 4 DT H72 H -2.327 -1.289 -5.467 . . . 1.0 . . . . . . . . . . . . B . 10 DT H72 . . . . . . . . . rr_1buf 1 . 1 . 304 . 2 1 4 DT H73 H -3.434 -1.783 -4.177 . . . 1.0 . . . . . . . . . . . . B . 10 DT H73 . . . . . . . . . rr_1buf 1 . 1 . 305 . 2 1 4 DT N1 N -1.932 2.173 -2.899 . . . 1.0 . . . . . . . . . . . . B . 10 DT N1 . . . . . . . . . rr_1buf 1 . 1 . 306 . 2 1 4 DT N3 N -0.594 0.412 -2.165 . . . 1.0 . . . . . . . . . . . . B . 10 DT N3 . . . . . . . . . rr_1buf 1 . 1 . 307 . 2 1 4 DT O2 O -0.127 2.529 -1.518 . . . 1.0 . . . . . . . . . . . . B . 10 DT O2 . . . . . . . . . rr_1buf 1 . 1 . 308 . 2 1 4 DT O3' O -2.013 6.546 -3.910 . . . 1.0 . . . . . . . . . . . . B . 10 DT O3' . . . . . . . . . rr_1buf 1 . 1 . 309 . 2 1 4 DT O4 O -1.002 -1.728 -2.729 . . . 1.0 . . . . . . . . . . . . B . 10 DT O4 . . . . . . . . . rr_1buf 1 . 1 . 310 . 2 1 4 DT O4' O -3.611 3.887 -2.995 . . . 1.0 . . . . . . . . . . . . B . 10 DT O4' . . . . . . . . . rr_1buf 1 . 1 . 311 . 2 1 4 DT O5' O -5.527 4.053 -5.431 . . . 1.0 . . . . . . . . . . . . B . 10 DT O5' . . . . . . . . . rr_1buf 1 . 1 . 312 . 2 1 4 DT OP1 O -7.801 4.991 -5.983 . . . 1.0 . . . . . . . . . . . . B . 10 DT OP1 . . . . . . . . . rr_1buf 1 . 1 . 313 . 2 1 4 DT OP2 O -7.246 2.697 -6.703 . . . 1.0 . . . . . . . . . . . . B . 10 DT OP2 . . . . . . . . . rr_1buf 1 . 1 . 314 . 2 1 4 DT P P -7.083 3.739 -5.665 . . . 1.0 . . . . . . . . . . . . B . 10 DT P . . . . . . . . . rr_1buf 1 . 1 . 315 . 2 1 5 DT C1' C 2.202 4.647 -5.567 . . . 1.0 . . . . . . . . . . . . B . 11 DT C1' . . . . . . . . . rr_1buf 1 . 1 . 316 . 2 1 5 DT C2 C 2.289 2.241 -4.994 . . . 1.0 . . . . . . . . . . . . B . 11 DT C2 . . . . . . . . . rr_1buf 1 . 1 . 317 . 2 1 5 DT C2' C 2.125 5.715 -6.659 . . . 1.0 . . . . . . . . . . . . B . 11 DT C2' . . . . . . . . . rr_1buf 1 . 1 . 318 . 2 1 5 DT C3' C 3.024 6.779 -6.005 . . . 1.0 . . . . . . . . . . . . B . 11 DT C3' . . . . . . . . . rr_1buf 1 . 1 . 319 . 2 1 5 DT C4 C 0.523 0.685 -5.699 . . . 1.0 . . . . . . . . . . . . B . 11 DT C4 . . . . . . . . . rr_1buf 1 . 1 . 320 . 2 1 5 DT C4' C 2.785 6.562 -4.497 . . . 1.0 . . . . . . . . . . . . B . 11 DT C4' . . . . . . . . . rr_1buf 1 . 1 . 321 . 2 1 5 DT C5 C -0.156 1.823 -6.285 . . . 1.0 . . . . . . . . . . . . B . 11 DT C5 . . . . . . . . . rr_1buf 1 . 1 . 322 . 2 1 5 DT C5' C 1.598 7.415 -3.995 . . . 1.0 . . . . . . . . . . . . B . 11 DT C5' . . . . . . . . . rr_1buf 1 . 1 . 323 . 2 1 5 DT C6 C 0.425 3.041 -6.301 . . . 1.0 . . . . . . . . . . . . B . 11 DT C6 . . . . . . . . . rr_1buf 1 . 1 . 324 . 2 1 5 DT C7 C -1.536 1.663 -6.880 . . . 1.0 . . . . . . . . . . . . B . 11 DT C7 . . . . . . . . . rr_1buf 1 . 1 . 325 . 2 1 5 DT H1' H 1.201 4.915 -5.455 . . . 1.0 . . . . . . . . . . . . B . 11 DT H1' . . . . . . . . . rr_1buf 1 . 1 . 326 . 2 1 5 DT H2' H 1.184 6.225 -6.759 . . . 1.0 . . . . . . . . . . . . B . 11 DT H2' . . . . . . . . . rr_1buf 1 . 1 . 327 . 2 1 5 DT H2'' H 2.255 5.284 -7.644 . . . 1.0 . . . . . . . . . . . . B . 11 DT H2'' . . . . . . . . . rr_1buf 1 . 1 . 328 . 2 1 5 DT H3 H 2.188 0.232 -4.580 . . . 1.0 . . . . . . . . . . . . B . 11 DT H3 . . . . . . . . . rr_1buf 1 . 1 . 329 . 2 1 5 DT H3' H 2.844 7.838 -6.251 . . . 1.0 . . . . . . . . . . . . B . 11 DT H3' . . . . . . . . . rr_1buf 1 . 1 . 330 . 2 1 5 DT H4' H 3.673 6.799 -3.921 . . . 1.0 . . . . . . . . . . . . B . 11 DT H4' . . . . . . . . . rr_1buf 1 . 1 . 331 . 2 1 5 DT H5' H 1.537 7.368 -2.907 . . . 1.0 . . . . . . . . . . . . B . 11 DT H5' . . . . . . . . . rr_1buf 1 . 1 . 332 . 2 1 5 DT H5'' H 1.732 8.453 -4.302 . . . 1.0 . . . . . . . . . . . . B . 11 DT H5'' . . . . . . . . . rr_1buf 1 . 1 . 333 . 2 1 5 DT H6 H -0.180 3.882 -6.657 . . . 1.0 . . . . . . . . . . . . B . 11 DT H6 . . . . . . . . . rr_1buf 1 . 1 . 334 . 2 1 5 DT H71 H -2.181 1.072 -6.244 . . . 1.0 . . . . . . . . . . . . B . 11 DT H71 . . . . . . . . . rr_1buf 1 . 1 . 335 . 2 1 5 DT H72 H -2.019 2.608 -7.128 . . . 1.0 . . . . . . . . . . . . B . 11 DT H72 . . . . . . . . . rr_1buf 1 . 1 . 336 . 2 1 5 DT H73 H -1.418 1.108 -7.812 . . . 1.0 . . . . . . . . . . . . B . 11 DT H73 . . . . . . . . . rr_1buf 1 . 1 . 337 . 2 1 5 DT N1 N 1.659 3.263 -5.709 . . . 1.0 . . . . . . . . . . . . B . 11 DT N1 . . . . . . . . . rr_1buf 1 . 1 . 338 . 2 1 5 DT N3 N 1.689 0.995 -5.035 . . . 1.0 . . . . . . . . . . . . B . 11 DT N3 . . . . . . . . . rr_1buf 1 . 1 . 339 . 2 1 5 DT O2 O 3.328 2.396 -4.358 . . . 1.0 . . . . . . . . . . . . B . 11 DT O2 . . . . . . . . . rr_1buf 1 . 1 . 340 . 2 1 5 DT O3' O 4.377 6.453 -6.180 . . . 1.0 . . . . . . . . . . . . B . 11 DT O3' . . . . . . . . . rr_1buf 1 . 1 . 341 . 2 1 5 DT O4 O 0.117 -0.473 -5.724 . . . 1.0 . . . . . . . . . . . . B . 11 DT O4 . . . . . . . . . rr_1buf 1 . 1 . 342 . 2 1 5 DT O4' O 2.361 5.222 -4.292 . . . 1.0 . . . . . . . . . . . . B . 11 DT O4' . . . . . . . . . rr_1buf 1 . 1 . 343 . 2 1 5 DT O5' O 0.413 6.868 -4.550 . . . 1.0 . . . . . . . . . . . . B . 11 DT O5' . . . . . . . . . rr_1buf 1 . 1 . 344 . 2 1 5 DT OP1 O -0.956 8.825 -3.781 . . . 1.0 . . . . . . . . . . . . B . 11 DT OP1 . . . . . . . . . rr_1buf 1 . 1 . 345 . 2 1 5 DT OP2 O -1.403 7.828 -5.988 . . . 1.0 . . . . . . . . . . . . B . 11 DT OP2 . . . . . . . . . rr_1buf 1 . 1 . 346 . 2 1 5 DT P P -0.998 7.585 -4.586 . . . 1.0 . . . . . . . . . . . . B . 11 DT P . . . . . . . . . rr_1buf 1 . 1 . 347 . 2 1 6 DG C1' C 7.270 2.661 -6.322 . . . 1.0 . . . . . . . . . . . . B . 12 DG C1' . . . . . . . . . rr_1buf 1 . 1 . 348 . 2 1 6 DG C2 C 5.515 -1.346 -6.404 . . . 1.0 . . . . . . . . . . . . B . 12 DG C2 . . . . . . . . . rr_1buf 1 . 1 . 349 . 2 1 6 DG C2' C 7.702 3.092 -7.723 . . . 1.0 . . . . . . . . . . . . B . 12 DG C2' . . . . . . . . . rr_1buf 1 . 1 . 350 . 2 1 6 DG C3' C 8.662 4.205 -7.362 . . . 1.0 . . . . . . . . . . . . B . 12 DG C3' . . . . . . . . . rr_1buf 1 . 1 . 351 . 2 1 6 DG C4 C 5.459 0.898 -6.539 . . . 1.0 . . . . . . . . . . . . B . 12 DG C4 . . . . . . . . . rr_1buf 1 . 1 . 352 . 2 1 6 DG C4' C 8.146 4.752 -6.037 . . . 1.0 . . . . . . . . . . . . B . 12 DG C4' . . . . . . . . . rr_1buf 1 . 1 . 353 . 2 1 6 DG C5 C 4.227 0.930 -7.145 . . . 1.0 . . . . . . . . . . . . B . 12 DG C5 . . . . . . . . . rr_1buf 1 . 1 . 354 . 2 1 6 DG C5' C 7.369 6.067 -6.171 . . . 1.0 . . . . . . . . . . . . B . 12 DG C5' . . . . . . . . . rr_1buf 1 . 1 . 355 . 2 1 6 DG C6 C 3.549 -0.300 -7.399 . . . 1.0 . . . . . . . . . . . . B . 12 DG C6 . . . . . . . . . rr_1buf 1 . 1 . 356 . 2 1 6 DG C8 C 4.860 2.949 -6.978 . . . 1.0 . . . . . . . . . . . . B . 12 DG C8 . . . . . . . . . rr_1buf 1 . 1 . 357 . 2 1 6 DG H1 H 3.826 -2.312 -7.128 . . . 1.0 . . . . . . . . . . . . B . 12 DG H1 . . . . . . . . . rr_1buf 1 . 1 . 358 . 2 1 6 DG H1' H 7.987 1.953 -5.916 . . . 1.0 . . . . . . . . . . . . B . 12 DG H1' . . . . . . . . . rr_1buf 1 . 1 . 359 . 2 1 6 DG H2' H 6.872 3.390 -8.394 . . . 1.0 . . . . . . . . . . . . B . 12 DG H2' . . . . . . . . . rr_1buf 1 . 1 . 360 . 2 1 6 DG H2'' H 8.252 2.282 -8.190 . . . 1.0 . . . . . . . . . . . . B . 12 DG H2'' . . . . . . . . . rr_1buf 1 . 1 . 361 . 2 1 6 DG H21 H 5.687 -3.380 -6.261 . . . 1.0 . . . . . . . . . . . . B . 12 DG H21 . . . . . . . . . rr_1buf 1 . 1 . 362 . 2 1 6 DG H22 H 6.984 -2.431 -5.560 . . . 1.0 . . . . . . . . . . . . B . 12 DG H22 . . . . . . . . . rr_1buf 1 . 1 . 363 . 2 1 6 DG H3' H 8.491 4.971 -8.109 . . . 1.0 . . . . . . . . . . . . B . 12 DG H3' . . . . . . . . . rr_1buf 1 . 1 . 364 . 2 1 6 DG H4' H 9.014 4.836 -5.373 . . . 1.0 . . . . . . . . . . . . B . 12 DG H4' . . . . . . . . . rr_1buf 1 . 1 . 365 . 2 1 6 DG H5' H 6.813 6.235 -5.247 . . . 1.0 . . . . . . . . . . . . B . 12 DG H5' . . . . . . . . . rr_1buf 1 . 1 . 366 . 2 1 6 DG H5'' H 8.065 6.893 -6.321 . . . 1.0 . . . . . . . . . . . . B . 12 DG H5'' . . . . . . . . . rr_1buf 1 . 1 . 367 . 2 1 6 DG H8 H 4.972 4.022 -7.082 . . . 1.0 . . . . . . . . . . . . B . 12 DG H8 . . . . . . . . . rr_1buf 1 . 1 . 368 . 2 1 6 DG HO3' H 10.562 4.497 -7.068 . . . 1.0 . . . . . . . . . . . . B . 12 DG HO3' . . . . . . . . . rr_1buf 1 . 1 . 369 . 2 1 6 DG N1 N 4.280 -1.409 -7.002 . . . 1.0 . . . . . . . . . . . . B . 12 DG N1 . . . . . . . . . rr_1buf 1 . 1 . 370 . 2 1 6 DG N2 N 6.101 -2.482 -6.042 . . . 1.0 . . . . . . . . . . . . B . 12 DG N2 . . . . . . . . . rr_1buf 1 . 1 . 371 . 2 1 6 DG N3 N 6.160 -0.202 -6.156 . . . 1.0 . . . . . . . . . . . . B . 12 DG N3 . . . . . . . . . rr_1buf 1 . 1 . 372 . 2 1 6 DG N7 N 3.866 2.243 -7.444 . . . 1.0 . . . . . . . . . . . . B . 12 DG N7 . . . . . . . . . rr_1buf 1 . 1 . 373 . 2 1 6 DG N9 N 5.881 2.201 -6.460 . . . 1.0 . . . . . . . . . . . . B . 12 DG N9 . . . . . . . . . rr_1buf 1 . 1 . 374 . 2 1 6 DG O3' O 9.999 3.752 -7.292 . . . 1.0 . . . . . . . . . . . . B . 12 DG O3' . . . . . . . . . rr_1buf 1 . 1 . 375 . 2 1 6 DG O4' O 7.395 3.736 -5.418 . . . 1.0 . . . . . . . . . . . . B . 12 DG O4' . . . . . . . . . rr_1buf 1 . 1 . 376 . 2 1 6 DG O5' O 6.509 5.987 -7.292 . . . 1.0 . . . . . . . . . . . . B . 12 DG O5' . . . . . . . . . rr_1buf 1 . 1 . 377 . 2 1 6 DG O6 O 2.445 -0.466 -7.914 . . . 1.0 . . . . . . . . . . . . B . 12 DG O6 . . . . . . . . . rr_1buf 1 . 1 . 378 . 2 1 6 DG OP1 O 5.634 8.347 -7.285 . . . 1.0 . . . . . . . . . . . . B . 12 DG OP1 . . . . . . . . . rr_1buf 1 . 1 . 379 . 2 1 6 DG OP2 O 4.538 6.640 -8.695 . . . 1.0 . . . . . . . . . . . . B . 12 DG OP2 . . . . . . . . . rr_1buf 1 . 1 . 380 . 2 1 6 DG P P 5.238 6.930 -7.426 . . . 1.0 . . . . . . . . . . . . B . 12 DG P . . . . . . . . . rr_1buf 1 stop_ save_ ########################### # Constraint Statistics # ########################### save_constraint_statistics _Constraint_stat_list.Sf_framecode constraint_statistics _Constraint_stat_list.Sf_category constraint_statistics _Constraint_stat_list.Entry_ID rr_1buf _Constraint_stat_list.ID 1 loop_ _Constraint_file.ID _Constraint_file.Constraint_filename _Constraint_file.Software_ID _Constraint_file.Software_label _Constraint_file.Software_name _Constraint_file.Block_ID _Constraint_file.Constraint_type _Constraint_file.Constraint_subtype _Constraint_file.Constraint_subsubtype _Constraint_file.Constraint_number _Constraint_file.Entry_ID _Constraint_file.Constraint_stat_list_ID 1 1buf.mr . . 'MR format' 1 comment 'Not applicable' 'Not applicable' 0 rr_1buf 1 1 1buf.mr . . AMBER 2 distance NOE simple 170 rr_1buf 1 1 1buf.mr . . AMBER 3 'dihedral angle' 'Not applicable' 'Not applicable' 60 rr_1buf 1 1 1buf.mr . . AMBER 4 distance 'hydrogen bond' simple 14 rr_1buf 1 1 1buf.mr . . AMBER 5 angle 'Not applicable' 'Not applicable' 0 rr_1buf 1 1 1buf.mr . . AMBER 6 'dihedral angle' 'Not applicable' 'Not applicable' 30 rr_1buf 1 1 1buf.mr . . 'MR format' 7 'nomenclature mapping' 'Not applicable' 'Not applicable' 0 rr_1buf 1 stop_ save_ save_AMBER_distance_constraints_2 _Gen_dist_constraint_list.Sf_category general_distance_constraints _Gen_dist_constraint_list.Sf_framecode AMBER_distance_constraints_2 _Gen_dist_constraint_list.Entry_ID rr_1buf _Gen_dist_constraint_list.ID 1 _Gen_dist_constraint_list.Constraint_type NOE _Gen_dist_constraint_list.Details 'Generated by Wattos' _Gen_dist_constraint_list.Constraint_file_ID 1 _Gen_dist_constraint_list.Block_ID 2 loop_ _Gen_dist_constraint_software.Software_ID _Gen_dist_constraint_software.Software_label _Gen_dist_constraint_software.Method_ID _Gen_dist_constraint_software.Method_label _Gen_dist_constraint_software.Entry_ID _Gen_dist_constraint_software.Gen_dist_constraint_list_ID . . . . rr_1buf 1 stop_ loop_ _Gen_dist_constraint.ID _Gen_dist_constraint.Member_ID _Gen_dist_constraint.Member_logic_code _Gen_dist_constraint.Assembly_atom_ID_1 _Gen_dist_constraint.Entity_assembly_ID_1 _Gen_dist_constraint.Entity_ID_1 _Gen_dist_constraint.Comp_index_ID_1 _Gen_dist_constraint.Seq_ID_1 _Gen_dist_constraint.Comp_ID_1 _Gen_dist_constraint.Atom_ID_1 _Gen_dist_constraint.Atom_type_1 _Gen_dist_constraint.Atom_isotope_number_1 _Gen_dist_constraint.Resonance_ID_1 _Gen_dist_constraint.Assembly_atom_ID_2 _Gen_dist_constraint.Entity_assembly_ID_2 _Gen_dist_constraint.Entity_ID_2 _Gen_dist_constraint.Comp_index_ID_2 _Gen_dist_constraint.Seq_ID_2 _Gen_dist_constraint.Comp_ID_2 _Gen_dist_constraint.Atom_ID_2 _Gen_dist_constraint.Atom_type_2 _Gen_dist_constraint.Atom_isotope_number_2 _Gen_dist_constraint.Resonance_ID_2 _Gen_dist_constraint.Intensity_val _Gen_dist_constraint.Intensity_lower_val_err _Gen_dist_constraint.Intensity_upper_val_err _Gen_dist_constraint.Distance_val _Gen_dist_constraint.Distance_lower_bound_val _Gen_dist_constraint.Distance_upper_bound_val _Gen_dist_constraint.Contribution_fractional_val _Gen_dist_constraint.Spectral_peak_ID _Gen_dist_constraint.Spectral_peak_list_ID _Gen_dist_constraint.PDB_record_ID_1 _Gen_dist_constraint.PDB_model_num_1 _Gen_dist_constraint.PDB_strand_ID_1 _Gen_dist_constraint.PDB_ins_code_1 _Gen_dist_constraint.PDB_residue_no_1 _Gen_dist_constraint.PDB_residue_name_1 _Gen_dist_constraint.PDB_atom_name_1 _Gen_dist_constraint.PDB_record_ID_2 _Gen_dist_constraint.PDB_model_num_2 _Gen_dist_constraint.PDB_strand_ID_2 _Gen_dist_constraint.PDB_ins_code_2 _Gen_dist_constraint.PDB_residue_no_2 _Gen_dist_constraint.PDB_residue_name_2 _Gen_dist_constraint.PDB_atom_name_2 _Gen_dist_constraint.Auth_entity_assembly_ID_1 _Gen_dist_constraint.Auth_asym_ID_1 _Gen_dist_constraint.Auth_chain_ID_1 _Gen_dist_constraint.Auth_seq_ID_1 _Gen_dist_constraint.Auth_comp_ID_1 _Gen_dist_constraint.Auth_atom_ID_1 _Gen_dist_constraint.Auth_alt_ID_1 _Gen_dist_constraint.Auth_atom_name_1 _Gen_dist_constraint.Auth_entity_assembly_ID_2 _Gen_dist_constraint.Auth_asym_ID_2 _Gen_dist_constraint.Auth_chain_ID_2 _Gen_dist_constraint.Auth_seq_ID_2 _Gen_dist_constraint.Auth_comp_ID_2 _Gen_dist_constraint.Auth_atom_ID_2 _Gen_dist_constraint.Auth_alt_ID_2 _Gen_dist_constraint.Auth_atom_name_2 _Gen_dist_constraint.Entry_ID _Gen_dist_constraint.Gen_dist_constraint_list_ID 1 1 . . 1 1 2 2 DA H4' H . . . 1 1 2 2 DA H3' H . . . . . 3.220 3.020 5.220 . . . . . A . 2 DA H4' . . A . 2 DA H3' . . . 2 . H4'' . . . . . 2 . H3'' . . rr_1buf 1 2 1 . . 1 1 2 2 DA H3' H . . . 1 1 2 2 DA H2' H . . . . . 2.685 2.585 4.685 . . . . . A . 2 DA H3' . . A . 2 DA H2' . . . 2 . H3'' . . . . . 2 . H2''1 . . rr_1buf 1 3 1 . . 1 1 2 2 DA H2'' H . . . 1 1 2 2 DA H1' H . . . . . 2.667 2.567 4.667 . . . . . A . 2 DA H2'' . . A . 2 DA H1' . . . 2 . H2''2 . . . . . 2 . H1'' . . rr_1buf 1 4 1 . . 1 1 4 4 DT H1' H . . . 1 1 4 4 DT H4' H . . . . . 3.217 2.829 5.217 . . . . . A . 4 DT H1' . . A . 4 DT H4' . . . 4 . H1'' . . . . . 4 . H4'' . . rr_1buf 1 5 1 . . 1 1 4 4 DT H4' H . . . 1 1 4 4 DT H3' H . . . . . 2.805 2.705 4.805 . . . . . A . 4 DT H4' . . A . 4 DT H3' . . . 4 . H4'' . . . . . 4 . H3'' . . rr_1buf 1 6 1 . . 1 1 4 4 DT H1' H . . . 1 1 4 4 DT H2' H . . . . . 3.057 2.637 5.057 . . . . . A . 4 DT H1' . . A . 4 DT H2' . . . 4 . H1'' . . . . . 4 . H2''1 . . rr_1buf 1 7 1 . . 1 1 4 4 DT H3' H . . . 1 1 4 4 DT H2' H . . . . . 2.507 2.370 4.507 . . . . . A . 4 DT H3' . . A . 4 DT H2' . . . 4 . H3'' . . . . . 4 . H2''1 . . rr_1buf 1 8 1 . . 1 1 6 6 DG H1' H . . . 1 1 6 6 DG H4' H . . . . . 3.003 2.903 5.003 . . . . . A . 6 DG H1' . . A . 6 DG H4' . . . 6 . H1'' . . . . . 6 . H4'' . . rr_1buf 1 9 1 . . 1 1 4 4 DT H1' H . . . 1 1 6 6 DG H8 H . . . . . 3.213 2.927 5.213 . . . . . A . 4 DT H1' . . A . 6 DG H8 . . . 4 . H1'' . . . . . 6 . H8 . . rr_1buf 1 10 1 . . 1 1 4 4 DT H2' H . . . 1 1 6 6 DG H8 H . . . . . 3.468 2.742 5.468 . . . . . A . 4 DT H2' . . A . 6 DG H8 . . . 4 . H2''1 . . . . . 6 . H8 . . rr_1buf 1 11 1 . . 1 1 6 6 DG H1' H . . . 1 1 6 6 DG H8 H . . . . . 3.653 3.507 5.653 . . . . . A . 6 DG H1' . . A . 6 DG H8 . . . 6 . H1'' . . . . . 6 . H8 . . rr_1buf 1 12 1 . . 1 1 6 6 DG H4' H . . . 1 1 6 6 DG H3' H . . . . . 2.857 2.746 4.857 . . . . . A . 6 DG H4' . . A . 6 DG H3' . . . 6 . H4'' . . . . . 6 . H3'' . . rr_1buf 1 13 1 . . 1 1 6 6 DG H1' H . . . 1 1 6 6 DG H2' H . . . . . 2.857 2.649 4.857 . . . . . A . 6 DG H1' . . A . 6 DG H2' . . . 6 . H1'' . . . . . 6 . H2''1 . . rr_1buf 1 14 1 . . 1 1 6 6 DG H8 H . . . 1 1 6 6 DG H2' H . . . . . 2.185 2.085 4.185 . . . . . A . 6 DG H8 . . A . 6 DG H2' . . . 6 . H8 . . . . . 6 . H2''1 . . rr_1buf 1 15 1 . . 1 1 6 6 DG H3' H . . . 1 1 6 6 DG H2' H . . . . . 2.273 2.173 4.273 . . . . . A . 6 DG H3' . . A . 6 DG H2' . . . 6 . H3'' . . . . . 6 . H2''1 . . rr_1buf 1 16 1 . . 1 1 6 6 DG H1' H . . . 1 1 6 6 DG H2'' H . . . . . 2.430 2.330 4.430 . . . . . A . 6 DG H1' . . A . 6 DG H2'' . . . 6 . H1'' . . . . . 6 . H2''2 . . rr_1buf 1 17 1 . . 2 1 2 2 DA H1' H . . . 2 1 2 2 DA H4' H . . . . . 2.970 2.770 4.970 . . . . . B . 8 DA H1' . . B . 8 DA H4' . . . 8 . H1'' . . . . . 8 . H4'' . . rr_1buf 1 18 1 . . 1 1 4 4 DT C7 C . . . 1 1 3 3 DA H2' H . . . . . 4.044 3.422 6.044 . . . . . A . 4 DT C7 . . A . 3 DA H2' . 1buf_ambr001 . 4 DT C7 . . . 1buf_ambr001 . 3 DA H2'1 . . rr_1buf 1 19 1 . . 2 1 2 2 DA H4' H . . . 2 1 2 2 DA H3' H . . . . . 2.665 2.465 4.665 . . . . . B . 8 DA H4' . . B . 8 DA H3' . . . 8 . H4'' . . . . . 8 . H3'' . . rr_1buf 1 20 1 . . 2 1 2 2 DA H3' H . . . 2 1 2 2 DA H2' H . . . . . 2.172 2.072 4.172 . . . . . B . 8 DA H3' . . B . 8 DA H2' . . . 8 . H3'' . . . . . 8 . H2''1 . . rr_1buf 1 21 1 . . 2 1 2 2 DA H3' H . . . 2 1 2 2 DA H2'' H . . . . . 2.873 2.664 4.873 . . . . . B . 8 DA H3' . . B . 8 DA H2'' . . . 8 . H3'' . . . . . 8 . H2''2 . . rr_1buf 1 22 1 . . 2 1 2 2 DA H2'' H . . . 2 1 4 4 DT H6 H . . . . . 2.507 2.407 4.507 . . . . . B . 8 DA H2'' . . B . 10 DT H6 . . . 8 . H2''2 . . . . . 10 . H6 . . rr_1buf 1 23 1 . . 2 1 4 4 DT H2'' H . . . 2 1 4 4 DT H1' H . . . . . 2.315 2.215 4.315 . . . . . B . 10 DT H2'' . . B . 10 DT H1' . . . 10 . H2''2 . . . . . 10 . H1'' . . rr_1buf 1 24 1 . . 2 1 4 4 DT H6 H . . . 2 1 4 4 DT H2'' H . . . . . 2.994 2.619 4.994 . . . . . B . 10 DT H6 . . B . 10 DT H2'' . . . 10 . H6 . . . . . 10 . H2''2 . . rr_1buf 1 25 1 . . 2 1 4 4 DT H2'' H . . . 2 1 4 4 DT H3' H . . . . . 3.200 3.076 5.200 . . . . . B . 10 DT H2'' . . B . 10 DT H3' . . . 10 . H2''2 . . . . . 10 . H3'' . . rr_1buf 1 26 1 . . 2 1 6 6 DG H1' H . . . 2 1 6 6 DG H4' H . . . . . 2.968 2.868 4.968 . . . . . B . 12 DG H1' . . B . 12 DG H4' . . . 12 . H1'' . . . . . 12 . H4'' . . rr_1buf 1 27 1 . . 2 1 6 6 DG H4' H . . . 2 1 6 6 DG H3' H . . . . . 2.900 2.800 4.900 . . . . . B . 12 DG H4' . . B . 12 DG H3' . . . 12 . H4'' . . . . . 12 . H3'' . . rr_1buf 1 28 1 . . 2 1 6 6 DG H1' H . . . 2 1 6 6 DG H2' H . . . . . 3.395 3.152 5.395 . . . . . B . 12 DG H1' . . B . 12 DG H2' . . . 12 . H1'' . . . . . 12 . H2''1 . . rr_1buf 1 29 1 . . 2 1 6 6 DG H2' H . . . 2 1 6 6 DG H8 H . . . . . 2.458 2.358 4.458 . . . . . B . 12 DG H2' . . B . 12 DG H8 . . . 12 . H2''1 . . . . . 12 . H8 . . rr_1buf 1 30 1 . . 2 1 6 6 DG H3' H . . . 2 1 6 6 DG H2' H . . . . . 2.508 2.408 4.508 . . . . . B . 12 DG H3' . . B . 12 DG H2' . . . 12 . H3'' . . . . . 12 . H2''1 . . rr_1buf 1 31 1 . . 2 1 6 6 DG H1' H . . . 2 1 6 6 DG H2'' H . . . . . 2.278 2.178 4.278 . . . . . B . 12 DG H1' . . B . 12 DG H2'' . . . 12 . H1'' . . . . . 12 . H2''2 . . rr_1buf 1 32 1 . . 2 1 6 6 DG H3' H . . . 2 1 6 6 DG H2'' H . . . . . 2.663 2.497 4.663 . . . . . B . 12 DG H3' . . B . 12 DG H2'' . . . 12 . H3'' . . . . . 12 . H2''2 . . rr_1buf 1 33 1 . . 1 1 2 2 DA H4' H . . . 1 1 2 2 DA H1' H . . . . . 3.216 3.109 5.216 . . . . . A . 2 DA H4' . . A . 2 DA H1' . . . 2 . H4'' . . . . . 2 . H1'' . . rr_1buf 1 34 1 . . 1 1 2 2 DA H3' H . . . 1 1 2 2 DA H1' H . . . . . 4.245 4.045 6.245 . . . . . A . 2 DA H3' . . A . 2 DA H1' . . . 2 . H3'' . . . . . 2 . H1'' . . rr_1buf 1 35 1 . . 1 1 2 2 DA H2' H . . . 1 1 2 2 DA H1' H . . . . . 3.653 3.432 5.653 . . . . . A . 2 DA H2' . . A . 2 DA H1' . . . 2 . H2''1 . . . . . 2 . H1'' . . rr_1buf 1 36 1 . . 1 1 2 2 DA H4' H . . . 1 1 2 2 DA H2'' H . . . . . 3.596 3.234 5.596 . . . . . A . 2 DA H4' . . A . 2 DA H2'' . . . 2 . H4'' . . . . . 2 . H2''2 . . rr_1buf 1 37 1 . . 1 1 6 6 DG H1' H . . . 1 1 6 6 DG H3' H . . . . . 4.015 3.915 6.015 . . . . . A . 6 DG H1' . . A . 6 DG H3' . . . 6 . H1'' . . . . . 6 . H3'' . . rr_1buf 1 38 1 . . 1 1 6 6 DG H1' H . . . 2 1 2 2 DA H4' H . . . . . 3.943 3.662 5.943 . . . . . A . 6 DG H1' . . B . 8 DA H4' . . . 6 . H1'' . . . . . 8 . H4'' . . rr_1buf 1 39 1 . . 1 1 4 4 DT C7 C . . . 1 1 3 3 DA H1' H . . . . . 5.367 4.798 7.367 . . . . . A . 4 DT C7 . . A . 3 DA H1' . 1buf_ambr001 . 4 DT C7 . . . 1buf_ambr001 . 3 DA H1' . . rr_1buf 1 40 1 . . 1 1 4 4 DT C7 C . . . 1 1 3 3 DA H3' H . . . . . 4.867 4.268 6.867 . . . . . A . 4 DT C7 . . A . 3 DA H3' . 1buf_ambr001 . 4 DT C7 . . . 1buf_ambr001 . 3 DA H3' . . rr_1buf 1 41 1 . . 2 1 2 2 DA H4' H . . . 2 1 2 2 DA H2' H . . . . . 3.561 3.319 5.561 . . . . . B . 8 DA H4' . . B . 8 DA H2' . . . 8 . H4'' . . . . . 8 . H2''1 . . rr_1buf 1 42 1 . . 1 1 4 4 DT H3' H . . . 1 1 5 5 DT C7 C . . . . . 4.642 4.138 6.642 . . . . . A . 4 DT H3' . . A . 5 DT C7 . 1buf_ambr001 . 4 DT H3' . . . 1buf_ambr001 . 5 DT C7 . . rr_1buf 1 43 1 . . 1 1 4 4 DT H2'' H . . . 1 1 5 5 DT C7 C . . . . . 4.439 3.541 6.439 . . . . . A . 4 DT H2'' . . A . 5 DT C7 . 1buf_ambr001 . 4 DT H2'2 . . . 1buf_ambr001 . 5 DT C7 . . rr_1buf 1 44 1 . . 2 1 4 4 DT H2' H . . . 2 1 4 4 DT H4' H . . . . . 3.753 3.382 5.753 . . . . . B . 10 DT H2' . . B . 10 DT H4' . . . 10 . H2''1 . . . . . 10 . H4'' . . rr_1buf 1 45 1 . . 2 1 4 4 DT H3' H . . . 2 1 4 4 DT H2' H . . . . . 2.405 2.205 4.405 . . . . . B . 10 DT H3' . . B . 10 DT H2' . . . 10 . H3'' . . . . . 10 . H2''1 . . rr_1buf 1 46 1 . . 2 1 4 4 DT H1' H . . . 2 1 6 6 DG H8 H . . . . . 3.905 3.805 5.905 . . . . . B . 10 DT H1' . . B . 12 DG H8 . . . 10 . H1'' . . . . . 12 . H8 . . rr_1buf 1 47 1 . . 2 1 6 6 DG H8 H . . . 2 1 4 4 DT H2' H . . . . . 4.216 3.729 6.216 . . . . . B . 12 DG H8 . . B . 10 DT H2' . . . 12 . H8 . . . . . 10 . H2''1 . . rr_1buf 1 48 1 . . 2 1 4 4 DT H2'' H . . . 2 1 6 6 DG H8 H . . . . . 3.315 3.215 5.315 . . . . . B . 10 DT H2'' . . B . 12 DG H8 . . . 10 . H2''2 . . . . . 12 . H8 . . rr_1buf 1 49 1 . . 2 1 6 6 DG H1' H . . . 2 1 6 6 DG H8 H . . . . . 3.785 3.685 5.785 . . . . . B . 12 DG H1' . . B . 12 DG H8 . . . 12 . H1'' . . . . . 12 . H8 . . rr_1buf 1 50 1 . . 2 1 6 6 DG H1' H . . . 2 1 6 6 DG H3' H . . . . . 3.987 3.728 5.987 . . . . . B . 12 DG H1' . . B . 12 DG H3' . . . 12 . H1'' . . . . . 12 . H3'' . . rr_1buf 1 51 1 . . 2 1 6 6 DG H3' H . . . 2 1 6 6 DG H8 H . . . . . 3.521 3.369 5.521 . . . . . B . 12 DG H3' . . B . 12 DG H8 . . . 12 . H3'' . . . . . 12 . H8 . . rr_1buf 1 52 1 . . 2 1 6 6 DG H8 H . . . 2 1 6 6 DG H2'' H . . . . . 5.094 3.661 7.094 . . . . . B . 12 DG H8 . . B . 12 DG H2'' . . . 12 . H8 . . . . . 12 . H2''2 . . rr_1buf 1 53 1 . . 1 1 6 6 DG H4' H . . . 1 1 6 6 DG H8 H . . . . . 4.500 4.300 6.500 . . . . . A . 6 DG H4' . . A . 6 DG H8 . . . 6 . H4'' . . . . . 6 . H8 . . rr_1buf 1 54 1 . . 1 1 6 6 DG H4' H . . . 1 1 6 6 DG H2' H . . . . . 4.422 3.752 6.422 . . . . . A . 6 DG H4' . . A . 6 DG H2' . . . 6 . H4'' . . . . . 6 . H2''1 . . rr_1buf 1 55 1 . . 1 1 6 6 DG H4' H . . . 1 1 6 6 DG H2'' H . . . . . 3.915 3.715 5.915 . . . . . A . 6 DG H4' . . A . 6 DG H2'' . . . 6 . H4'' . . . . . 6 . H2''2 . . rr_1buf 1 56 1 . . 2 1 2 2 DA H1' H . . . 2 1 2 2 DA H3' H . . . . . 3.535 3.335 5.535 . . . . . B . 8 DA H1' . . B . 8 DA H3' . . . 8 . H1'' . . . . . 8 . H3'' . . rr_1buf 1 57 1 . . 2 1 2 2 DA H3' H . . . 2 1 4 4 DT H6 H . . . . . 2.950 2.750 4.950 . . . . . B . 8 DA H3' . . B . 10 DT H6 . . . 8 . H3'' . . . . . 10 . H6 . . rr_1buf 1 58 1 . . 1 1 4 4 DT H1' H . . . 1 1 5 5 DT C7 C . . . . . 4.990 4.390 6.990 . . . . . A . 4 DT H1' . . A . 5 DT C7 . 1buf_ambr001 . 4 DT H1' . . . 1buf_ambr001 . 5 DT C7 . . rr_1buf 1 59 1 . . 2 1 4 4 DT H3' H . . . 2 1 6 6 DG H8 H . . . . . 4.415 4.215 6.415 . . . . . B . 10 DT H3' . . B . 12 DG H8 . . . 10 . H3'' . . . . . 12 . H8 . . rr_1buf 1 60 1 . . 2 1 6 6 DG H4' H . . . 2 1 6 6 DG H8 H . . . . . 5.155 4.955 7.155 . . . . . B . 12 DG H4' . . B . 12 DG H8 . . . 12 . H4'' . . . . . 12 . H8 . . rr_1buf 1 61 1 . . 2 1 6 6 DG H4' H . . . 2 1 6 6 DG H2' H . . . . . 4.055 3.855 6.055 . . . . . B . 12 DG H4' . . B . 12 DG H2' . . . 12 . H4'' . . . . . 12 . H2''1 . . rr_1buf 1 62 1 . . 2 1 6 6 DG H4' H . . . 2 1 6 6 DG H2'' H . . . . . 3.985 3.785 5.985 . . . . . B . 12 DG H4' . . B . 12 DG H2'' . . . 12 . H4'' . . . . . 12 . H2''2 . . rr_1buf 1 63 1 . . 1 1 4 4 DT H4' H . . . 1 1 4 4 DT H2' H . . . . . 4.490 4.090 6.490 . . . . . A . 4 DT H4' . . A . 4 DT H2' . . . 4 . H4'' . . . . . 4 . H2''1 . . rr_1buf 1 stop_ loop_ _Gen_dist_constraint_comment_org.ID _Gen_dist_constraint_comment_org.Comment_text _Gen_dist_constraint_comment_org.Comment_begin_line _Gen_dist_constraint_comment_org.Comment_begin_column _Gen_dist_constraint_comment_org.Comment_end_line _Gen_dist_constraint_comment_org.Comment_end_column _Gen_dist_constraint_comment_org.Entry_ID _Gen_dist_constraint_comment_org.Gen_dist_constraint_list_ID 1 ; d(CAATTG)2 distance constraint number 1 ; 1 1 2 33 rr_1buf 1 2 'distance constraint number 2' 6 1 6 33 rr_1buf 1 3 'distance constraint number 3' 10 1 10 33 rr_1buf 1 4 'distance constraint number 4' 14 1 14 33 rr_1buf 1 5 'distance constraint number 5' 18 1 18 33 rr_1buf 1 6 'distance constraint number 6' 22 1 22 33 rr_1buf 1 7 'distance constraint number 7' 26 1 26 33 rr_1buf 1 8 'distance constraint number 8' 30 1 30 33 rr_1buf 1 9 'distance constraint number 9' 34 1 34 33 rr_1buf 1 10 'distance constraint number 10' 38 1 38 33 rr_1buf 1 11 'distance constraint number 11' 42 1 42 33 rr_1buf 1 12 'distance constraint number 12' 46 1 46 33 rr_1buf 1 13 'distance constraint number 13' 50 1 50 33 rr_1buf 1 14 'distance constraint number 14' 54 1 54 33 rr_1buf 1 15 'distance constraint number 15' 58 1 58 33 rr_1buf 1 16 'distance constraint number 16' 62 1 62 33 rr_1buf 1 17 'distance constraint number 17' 66 1 66 33 rr_1buf 1 18 'distance constraint number 18' 70 1 70 33 rr_1buf 1 19 'distance constraint number 19' 74 1 74 33 rr_1buf 1 20 'distance constraint number 20' 78 1 78 33 rr_1buf 1 21 'distance constraint number 21' 82 1 82 33 rr_1buf 1 22 'distance constraint number 22' 86 1 86 33 rr_1buf 1 23 'distance constraint number 23' 90 1 90 33 rr_1buf 1 24 'distance constraint number 24' 94 1 94 33 rr_1buf 1 25 'distance constraint number 25' 98 1 98 33 rr_1buf 1 26 'distance constraint number 26' 102 1 102 33 rr_1buf 1 27 'distance constraint number 27' 106 1 106 33 rr_1buf 1 28 'distance constraint number 28' 110 1 110 33 rr_1buf 1 29 'distance constraint number 29' 114 1 114 33 rr_1buf 1 30 'distance constraint number 30' 118 1 118 33 rr_1buf 1 31 'distance constraint number 31' 122 1 122 33 rr_1buf 1 32 'distance constraint number 32' 126 1 126 33 rr_1buf 1 33 'distance constraint number 33' 130 1 130 33 rr_1buf 1 34 'distance constraint number 34' 134 1 134 33 rr_1buf 1 35 ; distance constraint number 35 distance constraint number 36 ; 138 1 139 33 rr_1buf 1 36 'distance constraint number 37' 143 1 143 33 rr_1buf 1 37 'distance constraint number 38' 147 1 147 33 rr_1buf 1 38 'distance constraint number 39' 151 1 151 33 rr_1buf 1 39 'distance constraint number 40' 155 1 155 33 rr_1buf 1 40 'distance constraint number 41' 159 1 159 33 rr_1buf 1 41 'distance constraint number 42' 163 1 163 33 rr_1buf 1 42 'distance constraint number 43' 167 1 167 33 rr_1buf 1 43 'distance constraint number 44' 171 1 171 33 rr_1buf 1 44 'distance constraint number 45' 175 1 175 33 rr_1buf 1 45 'distance constraint number 46' 179 1 179 33 rr_1buf 1 46 'distance constraint number 47' 183 1 183 33 rr_1buf 1 47 'distance constraint number 48' 187 1 187 33 rr_1buf 1 48 'distance constraint number 49' 191 1 191 33 rr_1buf 1 49 'distance constraint number 50' 195 1 195 33 rr_1buf 1 50 'distance constraint number 51' 199 1 199 33 rr_1buf 1 51 'distance constraint number 52' 203 1 203 33 rr_1buf 1 52 'distance constraint number 53' 207 1 207 33 rr_1buf 1 53 'distance constraint number 54' 211 1 211 33 rr_1buf 1 54 'distance constraint number 55' 215 1 215 33 rr_1buf 1 55 'distance constraint number 56' 219 1 219 33 rr_1buf 1 56 'distance constraint number 57' 223 1 223 33 rr_1buf 1 57 'distance constraint number 58' 227 1 227 33 rr_1buf 1 58 'distance constraint number 59' 231 1 231 33 rr_1buf 1 59 'distance constraint number 60' 235 1 235 33 rr_1buf 1 60 'distance constraint number 61' 239 1 239 33 rr_1buf 1 61 'distance constraint number 62' 243 1 243 33 rr_1buf 1 62 'distance constraint number 63' 247 1 247 33 rr_1buf 1 63 'distance constraint number 64' 251 1 251 33 rr_1buf 1 64 'distance constraint number 65' 255 1 255 33 rr_1buf 1 65 'distance constraint number 66' 259 1 259 33 rr_1buf 1 66 'distance constraint number 67' 263 1 263 33 rr_1buf 1 67 'distance constraint number 68' 267 1 267 33 rr_1buf 1 68 'distance constraint number 69' 271 1 271 33 rr_1buf 1 69 'distance constraint number 70' 275 1 275 33 rr_1buf 1 70 'distance constraint number 71' 279 1 279 33 rr_1buf 1 71 'distance constraint number 72' 283 1 283 33 rr_1buf 1 72 'distance constraint number 73' 287 1 287 33 rr_1buf 1 73 'distance constraint number 74' 291 1 291 33 rr_1buf 1 74 'distance constraint number 75' 295 1 295 33 rr_1buf 1 75 'distance constraint number 76' 299 1 299 33 rr_1buf 1 76 'distance constraint number 77' 303 1 303 33 rr_1buf 1 77 'distance constraint number 78' 307 1 307 33 rr_1buf 1 78 'distance constraint number 79' 311 1 311 33 rr_1buf 1 79 ; distance constraint number 80 distance constraint number 81 ; 315 1 316 33 rr_1buf 1 80 'distance constraint number 82' 320 1 320 33 rr_1buf 1 81 'distance constraint number 83' 324 1 324 33 rr_1buf 1 82 'distance constraint number 84' 328 1 328 33 rr_1buf 1 83 'distance constraint number 85' 332 1 332 33 rr_1buf 1 84 'distance constraint number 86' 336 1 336 33 rr_1buf 1 85 'distance constraint number 87' 340 1 340 33 rr_1buf 1 86 'distance constraint number 88' 344 1 344 33 rr_1buf 1 87 'distance constraint number 89' 348 1 348 33 rr_1buf 1 88 'distance constraint number 90' 352 1 352 33 rr_1buf 1 89 'distance constraint number 91' 356 1 356 33 rr_1buf 1 90 'distance constraint number 92' 360 1 360 33 rr_1buf 1 91 'distance constraint number 93' 364 1 364 33 rr_1buf 1 92 'distance constraint number 94' 368 1 368 33 rr_1buf 1 93 'distance constraint number 95' 372 1 372 33 rr_1buf 1 94 'distance constraint number 96' 376 1 376 33 rr_1buf 1 95 'distance constraint number 97' 380 1 380 33 rr_1buf 1 96 'distance constraint number 98' 384 1 384 33 rr_1buf 1 97 'distance constraint number 99' 388 1 388 33 rr_1buf 1 98 'distance constraint number 100' 392 1 392 33 rr_1buf 1 99 'distance constraint number 101' 396 1 396 33 rr_1buf 1 100 'distance constraint number 102' 400 1 400 33 rr_1buf 1 101 'distance constraint number 103' 404 1 404 33 rr_1buf 1 102 'distance constraint number 104' 408 1 408 33 rr_1buf 1 103 'distance constraint number 105' 412 1 412 33 rr_1buf 1 104 'distance constraint number 106' 416 1 416 33 rr_1buf 1 105 'distance constraint number 107' 420 1 420 33 rr_1buf 1 106 'distance constraint number 108' 424 1 424 33 rr_1buf 1 107 ; distance constraint number 109 distance constraint number 110 distance constraint number 111 ; 428 1 430 33 rr_1buf 1 108 'distance constraint number 112' 434 1 434 33 rr_1buf 1 109 'distance constraint number 113' 438 1 438 33 rr_1buf 1 110 'distance constraint number 114' 442 1 442 33 rr_1buf 1 111 'distance constraint number 115' 446 1 446 33 rr_1buf 1 112 'distance constraint number 116' 450 1 450 33 rr_1buf 1 113 'distance constraint number 117' 454 1 454 33 rr_1buf 1 114 'distance constraint number 118' 458 1 458 33 rr_1buf 1 115 'distance constraint number 119' 462 1 462 33 rr_1buf 1 116 'distance constraint number 120' 466 1 466 33 rr_1buf 1 117 'distance constraint number 121' 470 1 470 33 rr_1buf 1 118 'distance constraint number 122' 474 1 474 33 rr_1buf 1 119 'distance constraint number 123' 478 1 478 33 rr_1buf 1 120 'distance constraint number 124' 482 1 482 33 rr_1buf 1 121 'distance constraint number 125' 486 1 486 33 rr_1buf 1 122 'distance constraint number 126' 490 1 490 33 rr_1buf 1 123 'distance constraint number 127' 494 1 494 33 rr_1buf 1 124 'distance constraint number 128' 498 1 498 33 rr_1buf 1 125 'distance constraint number 129' 502 1 502 33 rr_1buf 1 126 'distance constraint number 130' 506 1 506 33 rr_1buf 1 127 'distance constraint number 131' 510 1 510 33 rr_1buf 1 128 'distance constraint number 132' 514 1 514 33 rr_1buf 1 129 'distance constraint number 133' 518 1 518 33 rr_1buf 1 130 'distance constraint number 134' 522 1 522 33 rr_1buf 1 131 'distance constraint number 135' 526 1 526 33 rr_1buf 1 132 'distance constraint number 136' 530 1 530 33 rr_1buf 1 133 'distance constraint number 137' 534 1 534 33 rr_1buf 1 134 'distance constraint number 138' 538 1 538 33 rr_1buf 1 135 'distance constraint number 139' 542 1 542 33 rr_1buf 1 136 ; distance constraint number 140 distance constraint number 141 distance constraint number 142 ; 546 1 548 33 rr_1buf 1 137 'distance constraint number 143' 552 1 552 33 rr_1buf 1 138 'distance constraint number 144' 556 1 556 33 rr_1buf 1 139 'distance constraint number 145' 560 1 560 33 rr_1buf 1 140 'distance constraint number 146' 564 1 564 33 rr_1buf 1 141 'distance constraint number 147' 568 1 568 33 rr_1buf 1 142 'distance constraint number 148' 572 1 572 33 rr_1buf 1 143 'distance constraint number 149' 576 1 576 33 rr_1buf 1 144 'distance constraint number 150' 580 1 580 33 rr_1buf 1 145 'distance constraint number 151' 584 1 584 33 rr_1buf 1 146 'distance constraint number 152' 588 1 588 33 rr_1buf 1 147 'distance constraint number 153' 592 1 592 33 rr_1buf 1 148 'distance constraint number 154' 596 1 596 33 rr_1buf 1 149 'distance constraint number 155' 600 1 600 33 rr_1buf 1 150 'distance constraint number 156' 604 1 604 33 rr_1buf 1 151 'distance constraint number 157' 608 1 608 33 rr_1buf 1 152 'distance constraint number 158' 612 1 612 33 rr_1buf 1 153 'distance constraint number 159' 616 1 616 33 rr_1buf 1 154 'distance constraint number 160' 620 1 620 33 rr_1buf 1 155 'distance constraint number 161' 624 1 624 33 rr_1buf 1 156 'distance constraint number 162' 628 1 628 33 rr_1buf 1 157 'distance constraint number 163' 632 1 632 33 rr_1buf 1 158 'distance constraint number 164' 636 1 636 33 rr_1buf 1 159 'distance constraint number 165' 640 1 640 33 rr_1buf 1 160 'distance constraint number 166' 644 1 644 33 rr_1buf 1 161 'distance constraint number 167' 648 1 648 33 rr_1buf 1 162 'distance constraint number 168' 652 1 652 33 rr_1buf 1 163 'distance constraint number 169' 656 1 656 33 rr_1buf 1 164 'distance constraint number 170' 660 1 660 33 rr_1buf 1 165 'distance constraint number 171' 664 1 664 33 rr_1buf 1 166 'distance constraint number 172' 668 1 668 33 rr_1buf 1 167 'distance constraint number 173' 672 1 672 33 rr_1buf 1 168 'distance constraint number 174' 676 1 676 33 rr_1buf 1 169 'distance constraint number 175' 680 1 680 33 rr_1buf 1 170 'distance constraint number 176' 684 1 684 33 rr_1buf 1 stop_ loop_ _Gen_dist_constraint_conv_err.ID _Gen_dist_constraint_conv_err.Gen_dist_constraint_parse_file_ID _Gen_dist_constraint_conv_err.Parse_file_constraint_ID _Gen_dist_constraint_conv_err.Conv_error_type _Gen_dist_constraint_conv_err.Conv_error_note _Gen_dist_constraint_conv_err.Entry_ID _Gen_dist_constraint_conv_err.Gen_dist_constraint_list_ID 1 2 1 1 "Not handling restraint 1, item 1, resonance(s) ' .2.H6' (nmrStar names) not linked" rr_1buf 1 2 2 3 1 "Not handling restraint 3, item 1, resonance(s) ' .2.H6' (nmrStar names) not linked" rr_1buf 1 3 2 4 1 "Not handling restraint 4, item 1, resonance(s) ' .2.H6' (nmrStar names) not linked" rr_1buf 1 4 2 8 1 "Not handling restraint 8, item 1, resonance(s) ' .4.H8' (nmrStar names) not linked" rr_1buf 1 5 2 10 1 "Not handling restraint 10, item 1, resonance(s) ' .4.H8' (nmrStar names) not linked" rr_1buf 1 6 2 12 1 "Not handling restraint 12, item 1, resonance(s) ' .4.H8' (nmrStar names) not linked" rr_1buf 1 7 2 14 1 "Not handling restraint 14, item 1, resonance(s) ' .4.H8' (nmrStar names) not linked" rr_1buf 1 8 2 25 1 "Not handling restraint 25, item 1, resonance(s) ' .8.H6' (nmrStar names) not linked" rr_1buf 1 9 2 26 1 "Not handling restraint 26, item 1, resonance(s) ' .8.H6' (nmrStar names) not linked" rr_1buf 1 10 2 29 1 "Not handling restraint 29, item 1, resonance(s) ' .8.H6' (nmrStar names) not linked" rr_1buf 1 11 2 30 1 "Not handling restraint 30, item 1, resonance(s) ' .8.H6' (nmrStar names) not linked" rr_1buf 1 12 2 32 1 "Not handling restraint 32, item 1, resonance(s) ' .8.H6' (nmrStar names) not linked" rr_1buf 1 13 2 45 1 "Not handling restraint 45, item 1, resonance(s) ' .15.H6' (nmrStar names),' .15.H4''' (nmrStar names) not linked" rr_1buf 1 14 2 46 1 "Not handling restraint 46, item 1, resonance(s) ' .15.H4''' (nmrStar names),' .15.H3''' (nmrStar names) not linked" rr_1buf 1 15 2 47 1 "Not handling restraint 47, item 1, resonance(s) ' .15.H6' (nmrStar names),' .15.H3''' (nmrStar names) not linked" rr_1buf 1 16 2 48 1 "Not handling restraint 48, item 1, resonance(s) ' .15.H6' (nmrStar names),' .15.H2''1' (nmrStar names) not linked" rr_1buf 1 17 2 49 1 "Not handling restraint 49, item 1, resonance(s) ' .15.H3''' (nmrStar names),' .15.H2''1' (nmrStar names) not linked" rr_1buf 1 18 2 50 1 "Not handling restraint 50, item 1, resonance(s) ' .15.H2''2' (nmrStar names),' .15.H1''' (nmrStar names) not linked" rr_1buf 1 19 2 51 1 "Not handling restraint 51, item 1, resonance(s) ' .17.H1''' (nmrStar names),' .17.H4''' (nmrStar names) not linked" rr_1buf 1 20 2 52 1 "Not handling restraint 52, item 1, resonance(s) ' .15.H2''2' (nmrStar names),' .17.H8' (nmrStar names) not linked" rr_1buf 1 21 2 53 1 "Not handling restraint 53, item 1, resonance(s) ' .17.H4''' (nmrStar names),' .17.H3''' (nmrStar names) not linked" rr_1buf 1 22 2 54 1 "Not handling restraint 54, item 1, resonance(s) ' .17.H8' (nmrStar names),' .17.H3''' (nmrStar names) not linked" rr_1buf 1 23 2 55 1 "Not handling restraint 55, item 1, resonance(s) ' .17.H1''' (nmrStar names),' .17.H2''1' (nmrStar names) not linked" rr_1buf 1 24 2 56 1 "Not handling restraint 56, item 1, resonance(s) ' .17.H8' (nmrStar names),' .17.H2''1' (nmrStar names) not linked" rr_1buf 1 25 2 57 1 "Not handling restraint 57, item 1, resonance(s) ' .17.H3''' (nmrStar names),' .17.H2''1' (nmrStar names) not linked" rr_1buf 1 26 2 58 1 "Not handling restraint 58, item 1, resonance(s) ' .17.H8' (nmrStar names),' .17.H2''2' (nmrStar names) not linked" rr_1buf 1 27 2 59 1 "Not handling restraint 59, item 1, resonance(s) ' .19.H1''' (nmrStar names),' .19.H4''' (nmrStar names) not linked" rr_1buf 1 28 2 60 1 "Not handling restraint 60, item 1, resonance(s) ' .17.H1''' (nmrStar names),' .19.H8' (nmrStar names) not linked" rr_1buf 1 29 2 61 1 "Not handling restraint 61, item 1, resonance(s) ' .17.H2''1' (nmrStar names),' .19.H8' (nmrStar names) not linked" rr_1buf 1 30 2 62 1 "Not handling restraint 62, item 1, resonance(s) ' .19.H1''' (nmrStar names),' .19.H8' (nmrStar names) not linked" rr_1buf 1 31 2 63 1 "Not handling restraint 63, item 1, resonance(s) ' .19.H4''' (nmrStar names),' .19.H3''' (nmrStar names) not linked" rr_1buf 1 32 2 64 1 "Not handling restraint 64, item 1, resonance(s) ' .19.H1''' (nmrStar names),' .19.H2''1' (nmrStar names) not linked" rr_1buf 1 33 2 65 1 "Not handling restraint 65, item 1, resonance(s) ' .19.H8' (nmrStar names),' .19.H2''1' (nmrStar names) not linked" rr_1buf 1 34 2 66 1 "Not handling restraint 66, item 1, resonance(s) ' .19.H3''' (nmrStar names),' .19.H2''1' (nmrStar names) not linked" rr_1buf 1 35 2 67 1 "Not handling restraint 67, item 1, resonance(s) ' .19.H1''' (nmrStar names),' .19.H2''2' (nmrStar names) not linked" rr_1buf 1 36 2 68 1 "Not handling restraint 68, item 1, resonance(s) ' .21.H1''' (nmrStar names),' .21.H4''' (nmrStar names) not linked" rr_1buf 1 37 2 69 1 "Not handling restraint 69, item 1, resonance(s) ' .19.H2''1' (nmrStar names),' .21.H6' (nmrStar names) not linked" rr_1buf 1 38 2 70 1 "Not handling restraint 70, item 1, resonance(s) ' .19.H2''2' (nmrStar names),' .21.H6' (nmrStar names) not linked" rr_1buf 1 39 2 71 1 "Not handling restraint 71, item 1, resonance(s) '1buf_ambr002.4.C7' (nmrStar names),'1buf_ambr002.3.H2'1' (nmrStar names) not linked" rr_1buf 1 40 2 72 1 "Not handling restraint 72, item 1, resonance(s) ' .21.H4''' (nmrStar names),' .21.H3''' (nmrStar names) not linked" rr_1buf 1 41 2 73 1 "Not handling restraint 73, item 1, resonance(s) ' .21.H6' (nmrStar names),' .21.H3''' (nmrStar names) not linked" rr_1buf 1 42 2 74 1 "Not handling restraint 74, item 1, resonance(s) ' .21.H6' (nmrStar names),' .21.H2''1' (nmrStar names) not linked" rr_1buf 1 43 2 75 1 "Not handling restraint 75, item 1, resonance(s) ' .21.H3''' (nmrStar names),' .21.H2''1' (nmrStar names) not linked" rr_1buf 1 44 2 76 1 "Not handling restraint 76, item 1, resonance(s) ' .21.H6' (nmrStar names),' .21.H2''2' (nmrStar names) not linked" rr_1buf 1 45 2 77 1 "Not handling restraint 77, item 1, resonance(s) ' .21.H3''' (nmrStar names),' .21.H2''2' (nmrStar names) not linked" rr_1buf 1 46 2 78 1 "Not handling restraint 78, item 1, resonance(s) ' .21.H2''2' (nmrStar names),' .23.H6' (nmrStar names) not linked" rr_1buf 1 47 2 79 1 "Not handling restraint 79, item 1, resonance(s) ' .23.H2''2' (nmrStar names),' .23.H1''' (nmrStar names) not linked" rr_1buf 1 48 2 80 1 "Not handling restraint 80, item 1, resonance(s) ' .23.H6' (nmrStar names),' .23.H2''2' (nmrStar names) not linked" rr_1buf 1 49 2 81 1 "Not handling restraint 81, item 1, resonance(s) ' .23.H2''2' (nmrStar names),' .23.H3''' (nmrStar names) not linked" rr_1buf 1 50 2 82 1 "Not handling restraint 82, item 1, resonance(s) ' .25.H1''' (nmrStar names),' .25.H4''' (nmrStar names) not linked" rr_1buf 1 51 2 83 1 "Not handling restraint 83, item 1, resonance(s) ' .25.H4''' (nmrStar names),' .25.H3''' (nmrStar names) not linked" rr_1buf 1 52 2 84 1 "Not handling restraint 84, item 1, resonance(s) ' .25.H1''' (nmrStar names),' .25.H2''1' (nmrStar names) not linked" rr_1buf 1 53 2 85 1 "Not handling restraint 85, item 1, resonance(s) ' .25.H2''1' (nmrStar names),' .25.H8' (nmrStar names) not linked" rr_1buf 1 54 2 86 1 "Not handling restraint 86, item 1, resonance(s) ' .25.H3''' (nmrStar names),' .25.H2''1' (nmrStar names) not linked" rr_1buf 1 55 2 87 1 "Not handling restraint 87, item 1, resonance(s) ' .25.H1''' (nmrStar names),' .25.H2''2' (nmrStar names) not linked" rr_1buf 1 56 2 88 1 "Not handling restraint 88, item 1, resonance(s) ' .25.H3''' (nmrStar names),' .25.H2''2' (nmrStar names) not linked" rr_1buf 1 57 2 90 1 "Not handling restraint 90, item 1, resonance(s) ' .2.H6' (nmrStar names) not linked" rr_1buf 1 58 2 94 1 "Not handling restraint 94, item 1, resonance(s) ' .2.H6' (nmrStar names) not linked" rr_1buf 1 59 2 95 1 "Not handling restraint 95, item 1, resonance(s) ' .4.H8' (nmrStar names) not linked" rr_1buf 1 60 2 96 1 "Not handling restraint 96, item 1, resonance(s) ' .4.H8' (nmrStar names) not linked" rr_1buf 1 61 2 97 1 "Not handling restraint 97, item 1, resonance(s) ' .4.H8' (nmrStar names) not linked" rr_1buf 1 62 2 100 1 "Not handling restraint 100, item 1, resonance(s) ' .8.H6' (nmrStar names) not linked" rr_1buf 1 63 2 101 1 "Not handling restraint 101, item 1, resonance(s) ' .8.H6' (nmrStar names) not linked" rr_1buf 1 64 2 102 1 "Not handling restraint 102, item 1, resonance(s) ' .8.H6' (nmrStar names) not linked" rr_1buf 1 65 2 103 1 "Not handling restraint 103, item 1, resonance(s) ' .8.H6' (nmrStar names) not linked" rr_1buf 1 66 2 118 1 "Not handling restraint 118, item 1, resonance(s) ' .15.H4''' (nmrStar names),' .15.H1''' (nmrStar names) not linked" rr_1buf 1 67 2 119 1 "Not handling restraint 119, item 1, resonance(s) ' .15.H6' (nmrStar names),' .15.H1''' (nmrStar names) not linked" rr_1buf 1 68 2 120 1 "Not handling restraint 120, item 1, resonance(s) ' .15.H3''' (nmrStar names),' .15.H1''' (nmrStar names) not linked" rr_1buf 1 69 2 121 1 "Not handling restraint 121, item 1, resonance(s) ' .15.H2''1' (nmrStar names),' .15.H1''' (nmrStar names) not linked" rr_1buf 1 70 2 122 1 "Not handling restraint 122, item 1, resonance(s) ' .15.H4''' (nmrStar names),' .15.H2''2' (nmrStar names) not linked" rr_1buf 1 71 2 123 1 "Not handling restraint 123, item 1, resonance(s) ' .15.H6' (nmrStar names),' .15.H2''2' (nmrStar names) not linked" rr_1buf 1 72 2 124 1 "Not handling restraint 124, item 1, resonance(s) ' .15.H3''' (nmrStar names),' .17.H8' (nmrStar names) not linked" rr_1buf 1 73 2 125 1 "Not handling restraint 125, item 1, resonance(s) ' .15.H2''1' (nmrStar names),' .17.H8' (nmrStar names) not linked" rr_1buf 1 74 2 126 1 "Not handling restraint 126, item 1, resonance(s) ' .17.H1''' (nmrStar names),' .17.H8' (nmrStar names) not linked" rr_1buf 1 75 2 127 1 "Not handling restraint 127, item 1, resonance(s) ' .19.H1''' (nmrStar names),' .19.H3''' (nmrStar names) not linked" rr_1buf 1 76 2 128 1 "Not handling restraint 128, item 1, resonance(s) ' .19.H1''' (nmrStar names),' .21.H4''' (nmrStar names) not linked" rr_1buf 1 77 2 129 1 "Not handling restraint 129, item 1, resonance(s) ' .19.H1''' (nmrStar names),' .21.H6' (nmrStar names) not linked" rr_1buf 1 78 2 130 1 "Not handling restraint 130, item 1, resonance(s) ' .19.H3''' (nmrStar names),' .21.H6' (nmrStar names) not linked" rr_1buf 1 79 2 131 1 "Not handling restraint 131, item 1, resonance(s) ' .21.H4''' (nmrStar names),' .21.H6' (nmrStar names) not linked" rr_1buf 1 80 2 132 1 "Not handling restraint 132, item 1, resonance(s) ' .21.H1''' (nmrStar names),' .21.H6' (nmrStar names) not linked" rr_1buf 1 81 2 133 1 "Not handling restraint 133, item 1, resonance(s) '1buf_ambr002.4.C7' (nmrStar names),'1buf_ambr002.3.H1'' (nmrStar names) not linked" rr_1buf 1 82 2 134 1 "Not handling restraint 134, item 1, resonance(s) '1buf_ambr002.4.C7' (nmrStar names),'1buf_ambr002.3.H3'' (nmrStar names) not linked" rr_1buf 1 83 2 135 1 "Not handling restraint 135, item 1, resonance(s) ' .21.H4''' (nmrStar names),' .21.H2''1' (nmrStar names) not linked" rr_1buf 1 84 2 136 1 "Not handling restraint 136, item 1, resonance(s) '1buf_ambr002.5.C7' (nmrStar names),'1buf_ambr002.4.H3'' (nmrStar names) not linked" rr_1buf 1 85 2 137 1 "Not handling restraint 137, item 1, resonance(s) '1buf_ambr002.5.C7' (nmrStar names),'1buf_ambr002.4.H2'2' (nmrStar names) not linked" rr_1buf 1 86 2 138 1 "Not handling restraint 138, item 1, resonance(s) ' .23.H2''1' (nmrStar names),' .23.H4''' (nmrStar names) not linked" rr_1buf 1 87 2 139 1 "Not handling restraint 139, item 1, resonance(s) ' .23.H3''' (nmrStar names),' .23.H2''1' (nmrStar names) not linked" rr_1buf 1 88 2 140 1 "Not handling restraint 140, item 1, resonance(s) ' .23.H1''' (nmrStar names),' .25.H8' (nmrStar names) not linked" rr_1buf 1 89 2 141 1 "Not handling restraint 141, item 1, resonance(s) ' .25.H8' (nmrStar names),' .23.H2''1' (nmrStar names) not linked" rr_1buf 1 90 2 142 1 "Not handling restraint 142, item 1, resonance(s) ' .23.H2''2' (nmrStar names),' .25.H8' (nmrStar names) not linked" rr_1buf 1 91 2 143 1 "Not handling restraint 143, item 1, resonance(s) ' .25.H1''' (nmrStar names),' .25.H8' (nmrStar names) not linked" rr_1buf 1 92 2 144 1 "Not handling restraint 144, item 1, resonance(s) ' .25.H1''' (nmrStar names),' .25.H3''' (nmrStar names) not linked" rr_1buf 1 93 2 145 1 "Not handling restraint 145, item 1, resonance(s) ' .25.H3''' (nmrStar names),' .25.H8' (nmrStar names) not linked" rr_1buf 1 94 2 146 1 "Not handling restraint 146, item 1, resonance(s) ' .25.H8' (nmrStar names),' .25.H2''2' (nmrStar names) not linked" rr_1buf 1 95 2 147 1 "Not handling restraint 147, item 1, resonance(s) ' .4.H8' (nmrStar names) not linked" rr_1buf 1 96 2 158 1 "Not handling restraint 158, item 1, resonance(s) ' .17.H4''' (nmrStar names),' .17.H8' (nmrStar names) not linked" rr_1buf 1 97 2 159 1 "Not handling restraint 159, item 1, resonance(s) ' .19.H4''' (nmrStar names),' .19.H8' (nmrStar names) not linked" rr_1buf 1 98 2 160 1 "Not handling restraint 160, item 1, resonance(s) ' .19.H4''' (nmrStar names),' .19.H2''1' (nmrStar names) not linked" rr_1buf 1 99 2 161 1 "Not handling restraint 161, item 1, resonance(s) ' .19.H4''' (nmrStar names),' .19.H2''2' (nmrStar names) not linked" rr_1buf 1 100 2 162 1 "Not handling restraint 162, item 1, resonance(s) ' .21.H1''' (nmrStar names),' .21.H3''' (nmrStar names) not linked" rr_1buf 1 101 2 163 1 "Not handling restraint 163, item 1, resonance(s) ' .21.H3''' (nmrStar names),' .23.H6' (nmrStar names) not linked" rr_1buf 1 102 2 164 1 "Not handling restraint 164, item 1, resonance(s) '1buf_ambr002.5.C7' (nmrStar names),'1buf_ambr002.4.H1'' (nmrStar names) not linked" rr_1buf 1 103 2 165 1 "Not handling restraint 165, item 1, resonance(s) ' .23.H3''' (nmrStar names),' .25.H8' (nmrStar names) not linked" rr_1buf 1 104 2 166 1 "Not handling restraint 166, item 1, resonance(s) ' .25.H4''' (nmrStar names),' .25.H8' (nmrStar names) not linked" rr_1buf 1 105 2 167 1 "Not handling restraint 167, item 1, resonance(s) ' .25.H4''' (nmrStar names),' .25.H2''1' (nmrStar names) not linked" rr_1buf 1 106 2 168 1 "Not handling restraint 168, item 1, resonance(s) ' .25.H4''' (nmrStar names),' .25.H2''2' (nmrStar names) not linked" rr_1buf 1 107 2 170 1 "Not handling restraint 170, item 1, resonance(s) ' .17.H4''' (nmrStar names),' .17.H2''1' (nmrStar names) not linked" rr_1buf 1 stop_ save_ save_AMBER_distance_constraints_4 _Gen_dist_constraint_list.Sf_category general_distance_constraints _Gen_dist_constraint_list.Sf_framecode AMBER_distance_constraints_4 _Gen_dist_constraint_list.Entry_ID rr_1buf _Gen_dist_constraint_list.ID 2 _Gen_dist_constraint_list.Constraint_type 'hydrogen bond' _Gen_dist_constraint_list.Details 'Generated by Wattos' _Gen_dist_constraint_list.Constraint_file_ID 1 _Gen_dist_constraint_list.Block_ID 4 loop_ _Gen_dist_constraint_software.Software_ID _Gen_dist_constraint_software.Software_label _Gen_dist_constraint_software.Method_ID _Gen_dist_constraint_software.Method_label _Gen_dist_constraint_software.Entry_ID _Gen_dist_constraint_software.Gen_dist_constraint_list_ID . . . . rr_1buf 2 stop_ loop_ _Gen_dist_constraint_comment_org.ID _Gen_dist_constraint_comment_org.Comment_text _Gen_dist_constraint_comment_org.Comment_begin_line _Gen_dist_constraint_comment_org.Comment_begin_column _Gen_dist_constraint_comment_org.Comment_end_line _Gen_dist_constraint_comment_org.Comment_end_column _Gen_dist_constraint_comment_org.Entry_ID _Gen_dist_constraint_comment_org.Gen_dist_constraint_list_ID 1 ; r1=0, r4=r3+0.3; ref.: James (1994) Biochemistry 33, 354 H-bond distance C1-G12, rk2, rk3 = 50% of kdist (10) = 5 ; 1 1 2 59 rr_1buf 2 2 'H-bond distance A2-T11' 7 1 7 25 rr_1buf 2 3 'H-bond distance A3-T10' 10 1 10 25 rr_1buf 2 4 'H-bond distance T4-A9' 13 1 13 24 rr_1buf 2 5 'H-bond distance T5-A8' 16 1 16 24 rr_1buf 2 6 'H-bond distance G6-C7' 19 1 19 24 rr_1buf 2 stop_ loop_ _Gen_dist_constraint_conv_err.ID _Gen_dist_constraint_conv_err.Gen_dist_constraint_parse_file_ID _Gen_dist_constraint_conv_err.Parse_file_constraint_ID _Gen_dist_constraint_conv_err.Conv_error_type _Gen_dist_constraint_conv_err.Conv_error_note _Gen_dist_constraint_conv_err.Entry_ID _Gen_dist_constraint_conv_err.Gen_dist_constraint_list_ID 1 4 1 1 "Not handling restraint 1, item 1, resonance(s) '1buf_ambr002.6.O6' (nmrStar names) not linked" rr_1buf 2 2 4 2 1 "Not handling restraint 2, item 1, resonance(s) '1buf_ambr002.6.N1' (nmrStar names) not linked" rr_1buf 2 3 4 3 1 "Not handling restraint 3, item 1, resonance(s) '1buf_ambr002.6.N2' (nmrStar names) not linked" rr_1buf 2 4 4 4 1 "Not handling restraint 4, item 1, resonance(s) '1buf_ambr002.5.O4' (nmrStar names) not linked" rr_1buf 2 5 4 5 1 "Not handling restraint 5, item 1, resonance(s) '1buf_ambr002.5.N3' (nmrStar names) not linked" rr_1buf 2 6 4 6 1 "Not handling restraint 6, item 1, resonance(s) '1buf_ambr002.4.O4' (nmrStar names) not linked" rr_1buf 2 7 4 7 1 "Not handling restraint 7, item 1, resonance(s) '1buf_ambr002.4.N3' (nmrStar names) not linked" rr_1buf 2 8 4 8 1 "Not handling restraint 8, item 1, resonance(s) '1buf_ambr002.3.N6' (nmrStar names) not linked" rr_1buf 2 9 4 9 1 "Not handling restraint 9, item 1, resonance(s) '1buf_ambr002.3.N1' (nmrStar names) not linked" rr_1buf 2 10 4 10 1 "Not handling restraint 10, item 1, resonance(s) '1buf_ambr002.2.N6' (nmrStar names) not linked" rr_1buf 2 11 4 11 1 "Not handling restraint 11, item 1, resonance(s) '1buf_ambr002.2.N1' (nmrStar names) not linked" rr_1buf 2 12 4 12 1 "Not handling restraint 12, item 1, resonance(s) '1buf_ambr002.1.N4' (nmrStar names) not linked" rr_1buf 2 13 4 13 1 "Not handling restraint 13, item 1, resonance(s) '1buf_ambr002.1.N3' (nmrStar names) not linked" rr_1buf 2 14 4 14 1 "Not handling restraint 14, item 1, resonance(s) '1buf_ambr002.1.O2' (nmrStar names) not linked" rr_1buf 2 stop_ save_ save_AMBER_dihedral_3 _Torsion_angle_constraint_list.Sf_category torsion_angle_constraints _Torsion_angle_constraint_list.Sf_framecode AMBER_dihedral_3 _Torsion_angle_constraint_list.Entry_ID rr_1buf _Torsion_angle_constraint_list.ID 1 _Torsion_angle_constraint_list.Details 'Generated by Wattos' _Torsion_angle_constraint_list.Constraint_file_ID 1 _Torsion_angle_constraint_list.Block_ID 3 loop_ _Torsion_angle_constraint_software.Software_ID _Torsion_angle_constraint_software.Software_label _Torsion_angle_constraint_software.Method_ID _Torsion_angle_constraint_software.Method_label _Torsion_angle_constraint_software.Entry_ID _Torsion_angle_constraint_software.Torsion_angle_constraint_list_ID . . . . rr_1buf 1 stop_ loop_ _Torsion_angle_constraint.ID _Torsion_angle_constraint.Torsion_angle_name _Torsion_angle_constraint.Assembly_atom_ID_1 _Torsion_angle_constraint.Entity_assembly_ID_1 _Torsion_angle_constraint.Entity_ID_1 _Torsion_angle_constraint.Comp_index_ID_1 _Torsion_angle_constraint.Seq_ID_1 _Torsion_angle_constraint.Comp_ID_1 _Torsion_angle_constraint.Atom_ID_1 _Torsion_angle_constraint.Atom_type_1 _Torsion_angle_constraint.Resonance_ID_1 _Torsion_angle_constraint.Assembly_atom_ID_2 _Torsion_angle_constraint.Entity_assembly_ID_2 _Torsion_angle_constraint.Entity_ID_2 _Torsion_angle_constraint.Comp_index_ID_2 _Torsion_angle_constraint.Seq_ID_2 _Torsion_angle_constraint.Comp_ID_2 _Torsion_angle_constraint.Atom_ID_2 _Torsion_angle_constraint.Atom_type_2 _Torsion_angle_constraint.Resonance_ID_2 _Torsion_angle_constraint.Assembly_atom_ID_3 _Torsion_angle_constraint.Entity_assembly_ID_3 _Torsion_angle_constraint.Entity_ID_3 _Torsion_angle_constraint.Comp_index_ID_3 _Torsion_angle_constraint.Seq_ID_3 _Torsion_angle_constraint.Comp_ID_3 _Torsion_angle_constraint.Atom_ID_3 _Torsion_angle_constraint.Atom_type_3 _Torsion_angle_constraint.Resonance_ID_3 _Torsion_angle_constraint.Assembly_atom_ID_4 _Torsion_angle_constraint.Entity_assembly_ID_4 _Torsion_angle_constraint.Entity_ID_4 _Torsion_angle_constraint.Comp_index_ID_4 _Torsion_angle_constraint.Seq_ID_4 _Torsion_angle_constraint.Comp_ID_4 _Torsion_angle_constraint.Atom_ID_4 _Torsion_angle_constraint.Atom_type_4 _Torsion_angle_constraint.Resonance_ID_4 _Torsion_angle_constraint.Angle_lower_bound_val _Torsion_angle_constraint.Angle_upper_bound_val _Torsion_angle_constraint.Source_experiment_ID _Torsion_angle_constraint.PDB_record_ID_1 _Torsion_angle_constraint.PDB_model_num_1 _Torsion_angle_constraint.PDB_strand_ID_1 _Torsion_angle_constraint.PDB_ins_code_1 _Torsion_angle_constraint.PDB_residue_no_1 _Torsion_angle_constraint.PDB_residue_name_1 _Torsion_angle_constraint.PDB_atom_name_1 _Torsion_angle_constraint.PDB_record_ID_2 _Torsion_angle_constraint.PDB_model_num_2 _Torsion_angle_constraint.PDB_strand_ID_2 _Torsion_angle_constraint.PDB_ins_code_2 _Torsion_angle_constraint.PDB_residue_no_2 _Torsion_angle_constraint.PDB_residue_name_2 _Torsion_angle_constraint.PDB_atom_name_2 _Torsion_angle_constraint.PDB_record_ID_3 _Torsion_angle_constraint.PDB_model_num_3 _Torsion_angle_constraint.PDB_strand_ID_3 _Torsion_angle_constraint.PDB_ins_code_3 _Torsion_angle_constraint.PDB_residue_no_3 _Torsion_angle_constraint.PDB_residue_name_3 _Torsion_angle_constraint.PDB_atom_name_3 _Torsion_angle_constraint.PDB_record_ID_4 _Torsion_angle_constraint.PDB_model_num_4 _Torsion_angle_constraint.PDB_strand_ID_4 _Torsion_angle_constraint.PDB_ins_code_4 _Torsion_angle_constraint.PDB_residue_no_4 _Torsion_angle_constraint.PDB_residue_name_4 _Torsion_angle_constraint.PDB_atom_name_4 _Torsion_angle_constraint.Auth_entity_assembly_ID_1 _Torsion_angle_constraint.Auth_asym_ID_1 _Torsion_angle_constraint.Auth_chain_ID_1 _Torsion_angle_constraint.Auth_seq_ID_1 _Torsion_angle_constraint.Auth_comp_ID_1 _Torsion_angle_constraint.Auth_atom_ID_1 _Torsion_angle_constraint.Auth_alt_ID_1 _Torsion_angle_constraint.Auth_atom_name_1 _Torsion_angle_constraint.Auth_entity_assembly_ID_2 _Torsion_angle_constraint.Auth_asym_ID_2 _Torsion_angle_constraint.Auth_chain_ID_2 _Torsion_angle_constraint.Auth_seq_ID_2 _Torsion_angle_constraint.Auth_comp_ID_2 _Torsion_angle_constraint.Auth_atom_ID_2 _Torsion_angle_constraint.Auth_alt_ID_2 _Torsion_angle_constraint.Auth_atom_name_2 _Torsion_angle_constraint.Auth_entity_assembly_ID_3 _Torsion_angle_constraint.Auth_asym_ID_3 _Torsion_angle_constraint.Auth_chain_ID_3 _Torsion_angle_constraint.Auth_seq_ID_3 _Torsion_angle_constraint.Auth_comp_ID_3 _Torsion_angle_constraint.Auth_atom_ID_3 _Torsion_angle_constraint.Auth_alt_ID_3 _Torsion_angle_constraint.Auth_atom_name_3 _Torsion_angle_constraint.Auth_entity_assembly_ID_4 _Torsion_angle_constraint.Auth_asym_ID_4 _Torsion_angle_constraint.Auth_chain_ID_4 _Torsion_angle_constraint.Auth_seq_ID_4 _Torsion_angle_constraint.Auth_comp_ID_4 _Torsion_angle_constraint.Auth_atom_ID_4 _Torsion_angle_constraint.Auth_alt_ID_4 _Torsion_angle_constraint.Auth_atom_name_4 _Torsion_angle_constraint.Entry_ID _Torsion_angle_constraint.Torsion_angle_constraint_list_ID 1 . . 1 1 1 1 DC C4' C . . 1 1 1 1 DC O4' O . . 1 1 1 1 DC C1' C . . 1 1 1 1 DC C2' C . -18.4 -13.4 . . . A . 1 DC C4' . . A . 1 DC O4' . . A . 1 DC C1' . . A . 1 DC C2' . 1buf_ambr001 . 1 DC5 C4' . . . 1buf_ambr001 . 1 DC5 O4' . . . 1buf_ambr001 . 1 DC5 C1' . . . 1buf_ambr001 . 1 DC5 C2' . . rr_1buf 1 2 . . 1 1 1 1 DC O4' O . . 1 1 1 1 DC C1' C . . 1 1 1 1 DC C2' C . . 1 1 1 1 DC C3' C . 27.8 32.8 . . . A . 1 DC O4' . . A . 1 DC C1' . . A . 1 DC C2' . . A . 1 DC C3' . 1buf_ambr001 . 1 DC5 O4' . . . 1buf_ambr001 . 1 DC5 C1' . . . 1buf_ambr001 . 1 DC5 C2' . . . 1buf_ambr001 . 1 DC5 C3' . . rr_1buf 1 3 . . 1 1 1 1 DC C1' C . . 1 1 1 1 DC C2' C . . 1 1 1 1 DC C3' C . . 1 1 1 1 DC C4' C . -34.5 -29.5 . . . A . 1 DC C1' . . A . 1 DC C2' . . A . 1 DC C3' . . A . 1 DC C4' . 1buf_ambr001 . 1 DC5 C1' . . . 1buf_ambr001 . 1 DC5 C2' . . . 1buf_ambr001 . 1 DC5 C3' . . . 1buf_ambr001 . 1 DC5 C4' . . rr_1buf 1 4 . . 1 1 1 1 DC C2' C . . 1 1 1 1 DC C3' C . . 1 1 1 1 DC C4' C . . 1 1 1 1 DC O4' O . 21.7 26.7 . . . A . 1 DC C2' . . A . 1 DC C3' . . A . 1 DC C4' . . A . 1 DC O4' . 1buf_ambr001 . 1 DC5 C2' . . . 1buf_ambr001 . 1 DC5 C3' . . . 1buf_ambr001 . 1 DC5 C4' . . . 1buf_ambr001 . 1 DC5 O4' . . rr_1buf 1 5 . . 1 1 1 1 DC C3' C . . 1 1 1 1 DC C4' C . . 1 1 1 1 DC O4' O . . 1 1 1 1 DC C1' C . -7.9 -2.9 . . . A . 1 DC C3' . . A . 1 DC C4' . . A . 1 DC O4' . . A . 1 DC C1' . 1buf_ambr001 . 1 DC5 C3' . . . 1buf_ambr001 . 1 DC5 C4' . . . 1buf_ambr001 . 1 DC5 O4' . . . 1buf_ambr001 . 1 DC5 C1' . . rr_1buf 1 6 . . 1 1 2 2 DA C4' C . . 1 1 2 2 DA O4' O . . 1 1 2 2 DA C1' C . . 1 1 2 2 DA C2' C . -18.6 -13.6 . . . A . 2 DA C4' . . A . 2 DA O4' . . A . 2 DA C1' . . A . 2 DA C2' . 1buf_ambr001 . 2 DA C4' . . . 1buf_ambr001 . 2 DA O4' . . . 1buf_ambr001 . 2 DA C1' . . . 1buf_ambr001 . 2 DA C2' . . rr_1buf 1 7 . . 1 1 2 2 DA O4' O . . 1 1 2 2 DA C1' C . . 1 1 2 2 DA C2' C . . 1 1 2 2 DA C3' C . 28.9 33.9 . . . A . 2 DA O4' . . A . 2 DA C1' . . A . 2 DA C2' . . A . 2 DA C3' . 1buf_ambr001 . 2 DA O4' . . . 1buf_ambr001 . 2 DA C1' . . . 1buf_ambr001 . 2 DA C2' . . . 1buf_ambr001 . 2 DA C3' . . rr_1buf 1 8 . . 1 1 2 2 DA C1' C . . 1 1 2 2 DA C2' C . . 1 1 2 2 DA C3' C . . 1 1 2 2 DA C4' C . -35.7 -30.7 . . . A . 2 DA C1' . . A . 2 DA C2' . . A . 2 DA C3' . . A . 2 DA C4' . 1buf_ambr001 . 2 DA C1' . . . 1buf_ambr001 . 2 DA C2' . . . 1buf_ambr001 . 2 DA C3' . . . 1buf_ambr001 . 2 DA C4' . . rr_1buf 1 9 . . 1 1 2 2 DA C2' C . . 1 1 2 2 DA C3' C . . 1 1 2 2 DA C4' C . . 1 1 2 2 DA O4' O . 23.1 28.1 . . . A . 2 DA C2' . . A . 2 DA C3' . . A . 2 DA C4' . . A . 2 DA O4' . 1buf_ambr001 . 2 DA C2' . . . 1buf_ambr001 . 2 DA C3' . . . 1buf_ambr001 . 2 DA C4' . . . 1buf_ambr001 . 2 DA O4' . . rr_1buf 1 10 . . 1 1 2 2 DA C3' C . . 1 1 2 2 DA C4' C . . 1 1 2 2 DA O4' O . . 1 1 2 2 DA C1' C . -8.6 -3.6 . . . A . 2 DA C3' . . A . 2 DA C4' . . A . 2 DA O4' . . A . 2 DA C1' . 1buf_ambr001 . 2 DA C3' . . . 1buf_ambr001 . 2 DA C4' . . . 1buf_ambr001 . 2 DA O4' . . . 1buf_ambr001 . 2 DA C1' . . rr_1buf 1 11 . . 1 1 3 3 DA C4' C . . 1 1 3 3 DA O4' O . . 1 1 3 3 DA C1' C . . 1 1 3 3 DA C2' C . -23.9 -18.9 . . . A . 3 DA C4' . . A . 3 DA O4' . . A . 3 DA C1' . . A . 3 DA C2' . 1buf_ambr001 . 3 DA C4' . . . 1buf_ambr001 . 3 DA O4' . . . 1buf_ambr001 . 3 DA C1' . . . 1buf_ambr001 . 3 DA C2' . . rr_1buf 1 12 . . 1 1 3 3 DA O4' O . . 1 1 3 3 DA C1' C . . 1 1 3 3 DA C2' C . . 1 1 3 3 DA C3' C . 32.7 37.7 . . . A . 3 DA O4' . . A . 3 DA C1' . . A . 3 DA C2' . . A . 3 DA C3' . 1buf_ambr001 . 3 DA O4' . . . 1buf_ambr001 . 3 DA C1' . . . 1buf_ambr001 . 3 DA C2' . . . 1buf_ambr001 . 3 DA C3' . . rr_1buf 1 13 . . 1 1 3 3 DA C1' C . . 1 1 3 3 DA C2' C . . 1 1 3 3 DA C3' C . . 1 1 3 3 DA C4' C . -36.8 -31.8 . . . A . 3 DA C1' . . A . 3 DA C2' . . A . 3 DA C3' . . A . 3 DA C4' . 1buf_ambr001 . 3 DA C1' . . . 1buf_ambr001 . 3 DA C2' . . . 1buf_ambr001 . 3 DA C3' . . . 1buf_ambr001 . 3 DA C4' . . rr_1buf 1 14 . . 1 1 3 3 DA C2' C . . 1 1 3 3 DA C3' C . . 1 1 3 3 DA C4' C . . 1 1 3 3 DA O4' O . 21.1 26.1 . . . A . 3 DA C2' . . A . 3 DA C3' . . A . 3 DA C4' . . A . 3 DA O4' . 1buf_ambr001 . 3 DA C2' . . . 1buf_ambr001 . 3 DA C3' . . . 1buf_ambr001 . 3 DA C4' . . . 1buf_ambr001 . 3 DA O4' . . rr_1buf 1 15 . . 1 1 3 3 DA C3' C . . 1 1 3 3 DA C4' C . . 1 1 3 3 DA O4' O . . 1 1 3 3 DA C1' C . -4.1 0.9 . . . A . 3 DA C3' . . A . 3 DA C4' . . A . 3 DA O4' . . A . 3 DA C1' . 1buf_ambr001 . 3 DA C3' . . . 1buf_ambr001 . 3 DA C4' . . . 1buf_ambr001 . 3 DA O4' . . . 1buf_ambr001 . 3 DA C1' . . rr_1buf 1 16 . . 1 1 4 4 DT C4' C . . 1 1 4 4 DT O4' O . . 1 1 4 4 DT C1' C . . 1 1 4 4 DT C2' C . -23.1 -18.1 . . . A . 4 DT C4' . . A . 4 DT O4' . . A . 4 DT C1' . . A . 4 DT C2' . 1buf_ambr001 . 4 DT C4' . . . 1buf_ambr001 . 4 DT O4' . . . 1buf_ambr001 . 4 DT C1' . . . 1buf_ambr001 . 4 DT C2' . . rr_1buf 1 17 . . 1 1 4 4 DT O4' O . . 1 1 4 4 DT C1' C . . 1 1 4 4 DT C2' C . . 1 1 4 4 DT C3' C . 31.1 36.1 . . . A . 4 DT O4' . . A . 4 DT C1' . . A . 4 DT C2' . . A . 4 DT C3' . 1buf_ambr001 . 4 DT O4' . . . 1buf_ambr001 . 4 DT C1' . . . 1buf_ambr001 . 4 DT C2' . . . 1buf_ambr001 . 4 DT C3' . . rr_1buf 1 18 . . 1 1 4 4 DT C1' C . . 1 1 4 4 DT C2' C . . 1 1 4 4 DT C3' C . . 1 1 4 4 DT C4' C . -35.1 -30.1 . . . A . 4 DT C1' . . A . 4 DT C2' . . A . 4 DT C3' . . A . 4 DT C4' . 1buf_ambr001 . 4 DT C1' . . . 1buf_ambr001 . 4 DT C2' . . . 1buf_ambr001 . 4 DT C3' . . . 1buf_ambr001 . 4 DT C4' . . rr_1buf 1 19 . . 1 1 4 4 DT C2' C . . 1 1 4 4 DT C3' C . . 1 1 4 4 DT C4' C . . 1 1 4 4 DT O4' O . 19.7 24.7 . . . A . 4 DT C2' . . A . 4 DT C3' . . A . 4 DT C4' . . A . 4 DT O4' . 1buf_ambr001 . 4 DT C2' . . . 1buf_ambr001 . 4 DT C3' . . . 1buf_ambr001 . 4 DT C4' . . . 1buf_ambr001 . 4 DT O4' . . rr_1buf 1 20 . . 1 1 4 4 DT C3' C . . 1 1 4 4 DT C4' C . . 1 1 4 4 DT O4' O . . 1 1 4 4 DT C1' C . -3.7 1.3 . . . A . 4 DT C3' . . A . 4 DT C4' . . A . 4 DT O4' . . A . 4 DT C1' . 1buf_ambr001 . 4 DT C3' . . . 1buf_ambr001 . 4 DT C4' . . . 1buf_ambr001 . 4 DT O4' . . . 1buf_ambr001 . 4 DT C1' . . rr_1buf 1 21 . . 1 1 5 5 DT C4' C . . 1 1 5 5 DT O4' O . . 1 1 5 5 DT C1' C . . 1 1 5 5 DT C2' C . -23.1 -18.1 . . . A . 5 DT C4' . . A . 5 DT O4' . . A . 5 DT C1' . . A . 5 DT C2' . 1buf_ambr001 . 5 DT C4' . . . 1buf_ambr001 . 5 DT O4' . . . 1buf_ambr001 . 5 DT C1' . . . 1buf_ambr001 . 5 DT C2' . . rr_1buf 1 22 . . 1 1 5 5 DT O4' O . . 1 1 5 5 DT C1' C . . 1 1 5 5 DT C2' C . . 1 1 5 5 DT C3' C . 31.1 36.1 . . . A . 5 DT O4' . . A . 5 DT C1' . . A . 5 DT C2' . . A . 5 DT C3' . 1buf_ambr001 . 5 DT O4' . . . 1buf_ambr001 . 5 DT C1' . . . 1buf_ambr001 . 5 DT C2' . . . 1buf_ambr001 . 5 DT C3' . . rr_1buf 1 23 . . 1 1 5 5 DT C1' C . . 1 1 5 5 DT C2' C . . 1 1 5 5 DT C3' C . . 1 1 5 5 DT C4' C . -35.1 -30.1 . . . A . 5 DT C1' . . A . 5 DT C2' . . A . 5 DT C3' . . A . 5 DT C4' . 1buf_ambr001 . 5 DT C1' . . . 1buf_ambr001 . 5 DT C2' . . . 1buf_ambr001 . 5 DT C3' . . . 1buf_ambr001 . 5 DT C4' . . rr_1buf 1 24 . . 1 1 5 5 DT C2' C . . 1 1 5 5 DT C3' C . . 1 1 5 5 DT C4' C . . 1 1 5 5 DT O4' O . 19.7 24.7 . . . A . 5 DT C2' . . A . 5 DT C3' . . A . 5 DT C4' . . A . 5 DT O4' . 1buf_ambr001 . 5 DT C2' . . . 1buf_ambr001 . 5 DT C3' . . . 1buf_ambr001 . 5 DT C4' . . . 1buf_ambr001 . 5 DT O4' . . rr_1buf 1 25 . . 1 1 5 5 DT C3' C . . 1 1 5 5 DT C4' C . . 1 1 5 5 DT O4' O . . 1 1 5 5 DT C1' C . -3.7 1.3 . . . A . 5 DT C3' . . A . 5 DT C4' . . A . 5 DT O4' . . A . 5 DT C1' . 1buf_ambr001 . 5 DT C3' . . . 1buf_ambr001 . 5 DT C4' . . . 1buf_ambr001 . 5 DT O4' . . . 1buf_ambr001 . 5 DT C1' . . rr_1buf 1 26 . . 1 1 6 6 DG C4' C . . 1 1 6 6 DG O4' O . . 1 1 6 6 DG C1' C . . 1 1 6 6 DG C2' C . -13.4 -8.4 . . . A . 6 DG C4' . . A . 6 DG O4' . . A . 6 DG C1' . . A . 6 DG C2' . 1buf_ambr001 . 6 DG3 C4' . . . 1buf_ambr001 . 6 DG3 O4' . . . 1buf_ambr001 . 6 DG3 C1' . . . 1buf_ambr001 . 6 DG3 C2' . . rr_1buf 1 27 . . 1 1 6 6 DG O4' O . . 1 1 6 6 DG C1' C . . 1 1 6 6 DG C2' C . . 1 1 6 6 DG C3' C . 25.0 30.0 . . . A . 6 DG O4' . . A . 6 DG C1' . . A . 6 DG C2' . . A . 6 DG C3' . 1buf_ambr001 . 6 DG3 O4' . . . 1buf_ambr001 . 6 DG3 C1' . . . 1buf_ambr001 . 6 DG3 C2' . . . 1buf_ambr001 . 6 DG3 C3' . . rr_1buf 1 28 . . 1 1 6 6 DG C1' C . . 1 1 6 6 DG C2' C . . 1 1 6 6 DG C3' C . . 1 1 6 6 DG C4' C . -34.6 -29.6 . . . A . 6 DG C1' . . A . 6 DG C2' . . A . 6 DG C3' . . A . 6 DG C4' . 1buf_ambr001 . 6 DG3 C1' . . . 1buf_ambr001 . 6 DG3 C2' . . . 1buf_ambr001 . 6 DG3 C3' . . . 1buf_ambr001 . 6 DG3 C4' . . rr_1buf 1 29 . . 1 1 6 6 DG C2' C . . 1 1 6 6 DG C3' C . . 1 1 6 6 DG C4' C . . 1 1 6 6 DG O4' O . 25.0 30.0 . . . A . 6 DG C2' . . A . 6 DG C3' . . A . 6 DG C4' . . A . 6 DG O4' . 1buf_ambr001 . 6 DG3 C2' . . . 1buf_ambr001 . 6 DG3 C3' . . . 1buf_ambr001 . 6 DG3 C4' . . . 1buf_ambr001 . 6 DG3 O4' . . rr_1buf 1 30 . . 1 1 6 6 DG C3' C . . 1 1 6 6 DG C4' C . . 1 1 6 6 DG O4' O . . 1 1 6 6 DG C1' C . -13.1 -8.1 . . . A . 6 DG C3' . . A . 6 DG C4' . . A . 6 DG O4' . . A . 6 DG C1' . 1buf_ambr001 . 6 DG3 C3' . . . 1buf_ambr001 . 6 DG3 C4' . . . 1buf_ambr001 . 6 DG3 O4' . . . 1buf_ambr001 . 6 DG3 C1' . . rr_1buf 1 stop_ loop_ _TA_constraint_comment_org.ID _TA_constraint_comment_org.Comment_text _TA_constraint_comment_org.Comment_begin_line _TA_constraint_comment_org.Comment_begin_column _TA_constraint_comment_org.Comment_end_line _TA_constraint_comment_org.Comment_end_column _TA_constraint_comment_org.Entry_ID _TA_constraint_comment_org.Torsion_angle_constraint_list_ID 1 ; sugar torsion from J-value (modified Karplus Equation) error +-0.5Hz JrMM derived sugar torsion, range +-2.5 degrees, ext. 10 degrees sugar torsion C1,C7 , rk2, rk3 = 5 x kdist (10) = 50 ; 1 1 3 55 rr_1buf 1 2 'sugar torsion A2,A8' 16 1 16 22 rr_1buf 1 3 'sugar torsion A3,A9' 29 1 29 22 rr_1buf 1 4 'sugar torsion T4,T10' 42 1 42 23 rr_1buf 1 5 'sugar torsion T5,T11' 55 1 55 23 rr_1buf 1 6 'sugar torsion G6,G12' 68 1 68 23 rr_1buf 1 stop_ loop_ _TA_constraint_conv_err.ID _TA_constraint_conv_err.Parse_file_ID _TA_constraint_conv_err.Parse_file_constraint_ID _TA_constraint_conv_err.Conv_error_type _TA_constraint_conv_err.Conv_error_note _TA_constraint_conv_err.Entry_ID _TA_constraint_conv_err.Torsion_angle_constraint_list_ID 1 3 6 1 "Not handling restraint 6, resonance(s) '1buf_ambr002.1.C4'' (nmrStar names),'1buf_ambr002.1.O4'' (nmrStar names),'1buf_ambr002.1.C1'' (nmrStar names),'1buf_ambr002.1.C2'' (nmrStar names) not linked" rr_1buf 1 2 3 7 1 "Not handling restraint 7, resonance(s) '1buf_ambr002.1.O4'' (nmrStar names),'1buf_ambr002.1.C1'' (nmrStar names),'1buf_ambr002.1.C2'' (nmrStar names),'1buf_ambr002.1.C3'' (nmrStar names) not linked" rr_1buf 1 3 3 8 1 "Not handling restraint 8, resonance(s) '1buf_ambr002.1.C1'' (nmrStar names),'1buf_ambr002.1.C2'' (nmrStar names),'1buf_ambr002.1.C3'' (nmrStar names),'1buf_ambr002.1.C4'' (nmrStar names) not linked" rr_1buf 1 4 3 9 1 "Not handling restraint 9, resonance(s) '1buf_ambr002.1.C2'' (nmrStar names),'1buf_ambr002.1.C3'' (nmrStar names),'1buf_ambr002.1.C4'' (nmrStar names),'1buf_ambr002.1.O4'' (nmrStar names) not linked" rr_1buf 1 5 3 10 1 "Not handling restraint 10, resonance(s) '1buf_ambr002.1.C3'' (nmrStar names),'1buf_ambr002.1.C4'' (nmrStar names),'1buf_ambr002.1.O4'' (nmrStar names),'1buf_ambr002.1.C1'' (nmrStar names) not linked" rr_1buf 1 6 3 16 1 "Not handling restraint 16, resonance(s) '1buf_ambr002.2.C4'' (nmrStar names),'1buf_ambr002.2.O4'' (nmrStar names),'1buf_ambr002.2.C1'' (nmrStar names),'1buf_ambr002.2.C2'' (nmrStar names) not linked" rr_1buf 1 7 3 17 1 "Not handling restraint 17, resonance(s) '1buf_ambr002.2.O4'' (nmrStar names),'1buf_ambr002.2.C1'' (nmrStar names),'1buf_ambr002.2.C2'' (nmrStar names),'1buf_ambr002.2.C3'' (nmrStar names) not linked" rr_1buf 1 8 3 18 1 "Not handling restraint 18, resonance(s) '1buf_ambr002.2.C1'' (nmrStar names),'1buf_ambr002.2.C2'' (nmrStar names),'1buf_ambr002.2.C3'' (nmrStar names),'1buf_ambr002.2.C4'' (nmrStar names) not linked" rr_1buf 1 9 3 19 1 "Not handling restraint 19, resonance(s) '1buf_ambr002.2.C2'' (nmrStar names),'1buf_ambr002.2.C3'' (nmrStar names),'1buf_ambr002.2.C4'' (nmrStar names),'1buf_ambr002.2.O4'' (nmrStar names) not linked" rr_1buf 1 10 3 20 1 "Not handling restraint 20, resonance(s) '1buf_ambr002.2.C3'' (nmrStar names),'1buf_ambr002.2.C4'' (nmrStar names),'1buf_ambr002.2.O4'' (nmrStar names),'1buf_ambr002.2.C1'' (nmrStar names) not linked" rr_1buf 1 11 3 26 1 "Not handling restraint 26, resonance(s) '1buf_ambr002.3.C4'' (nmrStar names),'1buf_ambr002.3.O4'' (nmrStar names),'1buf_ambr002.3.C1'' (nmrStar names),'1buf_ambr002.3.C2'' (nmrStar names) not linked" rr_1buf 1 12 3 27 1 "Not handling restraint 27, resonance(s) '1buf_ambr002.3.O4'' (nmrStar names),'1buf_ambr002.3.C1'' (nmrStar names),'1buf_ambr002.3.C2'' (nmrStar names),'1buf_ambr002.3.C3'' (nmrStar names) not linked" rr_1buf 1 13 3 28 1 "Not handling restraint 28, resonance(s) '1buf_ambr002.3.C1'' (nmrStar names),'1buf_ambr002.3.C2'' (nmrStar names),'1buf_ambr002.3.C3'' (nmrStar names),'1buf_ambr002.3.C4'' (nmrStar names) not linked" rr_1buf 1 14 3 29 1 "Not handling restraint 29, resonance(s) '1buf_ambr002.3.C2'' (nmrStar names),'1buf_ambr002.3.C3'' (nmrStar names),'1buf_ambr002.3.C4'' (nmrStar names),'1buf_ambr002.3.O4'' (nmrStar names) not linked" rr_1buf 1 15 3 30 1 "Not handling restraint 30, resonance(s) '1buf_ambr002.3.C3'' (nmrStar names),'1buf_ambr002.3.C4'' (nmrStar names),'1buf_ambr002.3.O4'' (nmrStar names),'1buf_ambr002.3.C1'' (nmrStar names) not linked" rr_1buf 1 16 3 36 1 "Not handling restraint 36, resonance(s) '1buf_ambr002.4.C4'' (nmrStar names),'1buf_ambr002.4.O4'' (nmrStar names),'1buf_ambr002.4.C1'' (nmrStar names),'1buf_ambr002.4.C2'' (nmrStar names) not linked" rr_1buf 1 17 3 37 1 "Not handling restraint 37, resonance(s) '1buf_ambr002.4.O4'' (nmrStar names),'1buf_ambr002.4.C1'' (nmrStar names),'1buf_ambr002.4.C2'' (nmrStar names),'1buf_ambr002.4.C3'' (nmrStar names) not linked" rr_1buf 1 18 3 38 1 "Not handling restraint 38, resonance(s) '1buf_ambr002.4.C1'' (nmrStar names),'1buf_ambr002.4.C2'' (nmrStar names),'1buf_ambr002.4.C3'' (nmrStar names),'1buf_ambr002.4.C4'' (nmrStar names) not linked" rr_1buf 1 19 3 39 1 "Not handling restraint 39, resonance(s) '1buf_ambr002.4.C2'' (nmrStar names),'1buf_ambr002.4.C3'' (nmrStar names),'1buf_ambr002.4.C4'' (nmrStar names),'1buf_ambr002.4.O4'' (nmrStar names) not linked" rr_1buf 1 20 3 40 1 "Not handling restraint 40, resonance(s) '1buf_ambr002.4.C3'' (nmrStar names),'1buf_ambr002.4.C4'' (nmrStar names),'1buf_ambr002.4.O4'' (nmrStar names),'1buf_ambr002.4.C1'' (nmrStar names) not linked" rr_1buf 1 21 3 46 1 "Not handling restraint 46, resonance(s) '1buf_ambr002.5.C4'' (nmrStar names),'1buf_ambr002.5.O4'' (nmrStar names),'1buf_ambr002.5.C1'' (nmrStar names),'1buf_ambr002.5.C2'' (nmrStar names) not linked" rr_1buf 1 22 3 47 1 "Not handling restraint 47, resonance(s) '1buf_ambr002.5.O4'' (nmrStar names),'1buf_ambr002.5.C1'' (nmrStar names),'1buf_ambr002.5.C2'' (nmrStar names),'1buf_ambr002.5.C3'' (nmrStar names) not linked" rr_1buf 1 23 3 48 1 "Not handling restraint 48, resonance(s) '1buf_ambr002.5.C1'' (nmrStar names),'1buf_ambr002.5.C2'' (nmrStar names),'1buf_ambr002.5.C3'' (nmrStar names),'1buf_ambr002.5.C4'' (nmrStar names) not linked" rr_1buf 1 24 3 49 1 "Not handling restraint 49, resonance(s) '1buf_ambr002.5.C2'' (nmrStar names),'1buf_ambr002.5.C3'' (nmrStar names),'1buf_ambr002.5.C4'' (nmrStar names),'1buf_ambr002.5.O4'' (nmrStar names) not linked" rr_1buf 1 25 3 50 1 "Not handling restraint 50, resonance(s) '1buf_ambr002.5.C3'' (nmrStar names),'1buf_ambr002.5.C4'' (nmrStar names),'1buf_ambr002.5.O4'' (nmrStar names),'1buf_ambr002.5.C1'' (nmrStar names) not linked" rr_1buf 1 26 3 56 1 "Not handling restraint 56, resonance(s) '1buf_ambr002.6.C4'' (nmrStar names),'1buf_ambr002.6.O4'' (nmrStar names),'1buf_ambr002.6.C1'' (nmrStar names),'1buf_ambr002.6.C2'' (nmrStar names) not linked" rr_1buf 1 27 3 57 1 "Not handling restraint 57, resonance(s) '1buf_ambr002.6.O4'' (nmrStar names),'1buf_ambr002.6.C1'' (nmrStar names),'1buf_ambr002.6.C2'' (nmrStar names),'1buf_ambr002.6.C3'' (nmrStar names) not linked" rr_1buf 1 28 3 58 1 "Not handling restraint 58, resonance(s) '1buf_ambr002.6.C1'' (nmrStar names),'1buf_ambr002.6.C2'' (nmrStar names),'1buf_ambr002.6.C3'' (nmrStar names),'1buf_ambr002.6.C4'' (nmrStar names) not linked" rr_1buf 1 29 3 59 1 "Not handling restraint 59, resonance(s) '1buf_ambr002.6.C2'' (nmrStar names),'1buf_ambr002.6.C3'' (nmrStar names),'1buf_ambr002.6.C4'' (nmrStar names),'1buf_ambr002.6.O4'' (nmrStar names) not linked" rr_1buf 1 30 3 60 1 "Not handling restraint 60, resonance(s) '1buf_ambr002.6.C3'' (nmrStar names),'1buf_ambr002.6.C4'' (nmrStar names),'1buf_ambr002.6.O4'' (nmrStar names),'1buf_ambr002.6.C1'' (nmrStar names) not linked" rr_1buf 1 stop_ save_ save_AMBER_dihedral_6 _Torsion_angle_constraint_list.Sf_category torsion_angle_constraints _Torsion_angle_constraint_list.Sf_framecode AMBER_dihedral_6 _Torsion_angle_constraint_list.Entry_ID rr_1buf _Torsion_angle_constraint_list.ID 2 _Torsion_angle_constraint_list.Details 'Generated by Wattos' _Torsion_angle_constraint_list.Constraint_file_ID 1 _Torsion_angle_constraint_list.Block_ID 6 loop_ _Torsion_angle_constraint_software.Software_ID _Torsion_angle_constraint_software.Software_label _Torsion_angle_constraint_software.Method_ID _Torsion_angle_constraint_software.Method_label _Torsion_angle_constraint_software.Entry_ID _Torsion_angle_constraint_software.Torsion_angle_constraint_list_ID . . . . rr_1buf 2 stop_ loop_ _Torsion_angle_constraint.ID _Torsion_angle_constraint.Torsion_angle_name _Torsion_angle_constraint.Assembly_atom_ID_1 _Torsion_angle_constraint.Entity_assembly_ID_1 _Torsion_angle_constraint.Entity_ID_1 _Torsion_angle_constraint.Comp_index_ID_1 _Torsion_angle_constraint.Seq_ID_1 _Torsion_angle_constraint.Comp_ID_1 _Torsion_angle_constraint.Atom_ID_1 _Torsion_angle_constraint.Atom_type_1 _Torsion_angle_constraint.Resonance_ID_1 _Torsion_angle_constraint.Assembly_atom_ID_2 _Torsion_angle_constraint.Entity_assembly_ID_2 _Torsion_angle_constraint.Entity_ID_2 _Torsion_angle_constraint.Comp_index_ID_2 _Torsion_angle_constraint.Seq_ID_2 _Torsion_angle_constraint.Comp_ID_2 _Torsion_angle_constraint.Atom_ID_2 _Torsion_angle_constraint.Atom_type_2 _Torsion_angle_constraint.Resonance_ID_2 _Torsion_angle_constraint.Assembly_atom_ID_3 _Torsion_angle_constraint.Entity_assembly_ID_3 _Torsion_angle_constraint.Entity_ID_3 _Torsion_angle_constraint.Comp_index_ID_3 _Torsion_angle_constraint.Seq_ID_3 _Torsion_angle_constraint.Comp_ID_3 _Torsion_angle_constraint.Atom_ID_3 _Torsion_angle_constraint.Atom_type_3 _Torsion_angle_constraint.Resonance_ID_3 _Torsion_angle_constraint.Assembly_atom_ID_4 _Torsion_angle_constraint.Entity_assembly_ID_4 _Torsion_angle_constraint.Entity_ID_4 _Torsion_angle_constraint.Comp_index_ID_4 _Torsion_angle_constraint.Seq_ID_4 _Torsion_angle_constraint.Comp_ID_4 _Torsion_angle_constraint.Atom_ID_4 _Torsion_angle_constraint.Atom_type_4 _Torsion_angle_constraint.Resonance_ID_4 _Torsion_angle_constraint.Angle_lower_bound_val _Torsion_angle_constraint.Angle_upper_bound_val _Torsion_angle_constraint.Source_experiment_ID _Torsion_angle_constraint.PDB_record_ID_1 _Torsion_angle_constraint.PDB_model_num_1 _Torsion_angle_constraint.PDB_strand_ID_1 _Torsion_angle_constraint.PDB_ins_code_1 _Torsion_angle_constraint.PDB_residue_no_1 _Torsion_angle_constraint.PDB_residue_name_1 _Torsion_angle_constraint.PDB_atom_name_1 _Torsion_angle_constraint.PDB_record_ID_2 _Torsion_angle_constraint.PDB_model_num_2 _Torsion_angle_constraint.PDB_strand_ID_2 _Torsion_angle_constraint.PDB_ins_code_2 _Torsion_angle_constraint.PDB_residue_no_2 _Torsion_angle_constraint.PDB_residue_name_2 _Torsion_angle_constraint.PDB_atom_name_2 _Torsion_angle_constraint.PDB_record_ID_3 _Torsion_angle_constraint.PDB_model_num_3 _Torsion_angle_constraint.PDB_strand_ID_3 _Torsion_angle_constraint.PDB_ins_code_3 _Torsion_angle_constraint.PDB_residue_no_3 _Torsion_angle_constraint.PDB_residue_name_3 _Torsion_angle_constraint.PDB_atom_name_3 _Torsion_angle_constraint.PDB_record_ID_4 _Torsion_angle_constraint.PDB_model_num_4 _Torsion_angle_constraint.PDB_strand_ID_4 _Torsion_angle_constraint.PDB_ins_code_4 _Torsion_angle_constraint.PDB_residue_no_4 _Torsion_angle_constraint.PDB_residue_name_4 _Torsion_angle_constraint.PDB_atom_name_4 _Torsion_angle_constraint.Auth_entity_assembly_ID_1 _Torsion_angle_constraint.Auth_asym_ID_1 _Torsion_angle_constraint.Auth_chain_ID_1 _Torsion_angle_constraint.Auth_seq_ID_1 _Torsion_angle_constraint.Auth_comp_ID_1 _Torsion_angle_constraint.Auth_atom_ID_1 _Torsion_angle_constraint.Auth_alt_ID_1 _Torsion_angle_constraint.Auth_atom_name_1 _Torsion_angle_constraint.Auth_entity_assembly_ID_2 _Torsion_angle_constraint.Auth_asym_ID_2 _Torsion_angle_constraint.Auth_chain_ID_2 _Torsion_angle_constraint.Auth_seq_ID_2 _Torsion_angle_constraint.Auth_comp_ID_2 _Torsion_angle_constraint.Auth_atom_ID_2 _Torsion_angle_constraint.Auth_alt_ID_2 _Torsion_angle_constraint.Auth_atom_name_2 _Torsion_angle_constraint.Auth_entity_assembly_ID_3 _Torsion_angle_constraint.Auth_asym_ID_3 _Torsion_angle_constraint.Auth_chain_ID_3 _Torsion_angle_constraint.Auth_seq_ID_3 _Torsion_angle_constraint.Auth_comp_ID_3 _Torsion_angle_constraint.Auth_atom_ID_3 _Torsion_angle_constraint.Auth_alt_ID_3 _Torsion_angle_constraint.Auth_atom_name_3 _Torsion_angle_constraint.Auth_entity_assembly_ID_4 _Torsion_angle_constraint.Auth_asym_ID_4 _Torsion_angle_constraint.Auth_chain_ID_4 _Torsion_angle_constraint.Auth_seq_ID_4 _Torsion_angle_constraint.Auth_comp_ID_4 _Torsion_angle_constraint.Auth_atom_ID_4 _Torsion_angle_constraint.Auth_alt_ID_4 _Torsion_angle_constraint.Auth_atom_name_4 _Torsion_angle_constraint.Entry_ID _Torsion_angle_constraint.Torsion_angle_constraint_list_ID 1 . . 1 1 1 1 DC C4' C . . 1 1 1 1 DC C3' C . . 1 1 1 1 DC O3' O . . 1 1 2 2 DA P P . -158.8 -153.8 . . . A . 1 DC C4' . . A . 1 DC C3' . . A . 1 DC O3' . . A . 2 DA P . 1buf_ambr001 . 1 DC5 C4' . . . 1buf_ambr001 . 1 DC5 C3' . . . 1buf_ambr001 . 1 DC5 O3' . . . 1buf_ambr001 . 2 DA P . . rr_1buf 2 2 . . 1 1 1 1 DC H3' H . . 1 1 1 1 DC C3' C . . 1 1 1 1 DC O3' O . . 1 1 2 2 DA P P . -36.1 -31.1 . . . A . 1 DC H3' . . A . 1 DC C3' . . A . 1 DC O3' . . A . 2 DA P . 1buf_ambr001 . 1 DC5 H3' . . . 1buf_ambr001 . 1 DC5 C3' . . . 1buf_ambr001 . 1 DC5 O3' . . . 1buf_ambr001 . 2 DA P . . rr_1buf 2 3 . . 1 1 2 2 DA C4' C . . 1 1 2 2 DA C5' C . . 1 1 2 2 DA O5' O . . 1 1 2 2 DA P P . -158.8 -153.8 . . . A . 2 DA C4' . . A . 2 DA C5' . . A . 2 DA O5' . . A . 2 DA P . 1buf_ambr001 . 2 DA C4' . . . 1buf_ambr001 . 2 DA C5' . . . 1buf_ambr001 . 2 DA O5' . . . 1buf_ambr001 . 2 DA P . . rr_1buf 2 4 . . 1 1 2 2 DA C4' C . . 1 1 2 2 DA C3' C . . 1 1 2 2 DA O3' O . . 1 1 3 3 DA P P . -158.8 -153.8 . . . A . 2 DA C4' . . A . 2 DA C3' . . A . 2 DA O3' . . A . 3 DA P . 1buf_ambr001 . 2 DA C4' . . . 1buf_ambr001 . 2 DA C3' . . . 1buf_ambr001 . 2 DA O3' . . . 1buf_ambr001 . 3 DA P . . rr_1buf 2 5 . . 1 1 3 3 DA C4' C . . 1 1 3 3 DA C5' C . . 1 1 3 3 DA O5' O . . 1 1 3 3 DA P P . 157.6 162.6 . . . A . 3 DA C4' . . A . 3 DA C5' . . A . 3 DA O5' . . A . 3 DA P . 1buf_ambr001 . 3 DA C4' . . . 1buf_ambr001 . 3 DA C5' . . . 1buf_ambr001 . 3 DA O5' . . . 1buf_ambr001 . 3 DA P . . rr_1buf 2 6 . . 1 1 3 3 DA C4' C . . 1 1 3 3 DA C3' C . . 1 1 3 3 DA O3' O . . 1 1 4 4 DT P P . -162.6 -157.6 . . . A . 3 DA C4' . . A . 3 DA C3' . . A . 3 DA O3' . . A . 4 DT P . 1buf_ambr001 . 3 DA C4' . . . 1buf_ambr001 . 3 DA C3' . . . 1buf_ambr001 . 3 DA O3' . . . 1buf_ambr001 . 4 DT P . . rr_1buf 2 7 . . 1 1 3 3 DA H3' H . . 1 1 3 3 DA C3' C . . 1 1 3 3 DA O3' O . . 1 1 4 4 DT P P . -42.0 -37.0 . . . A . 3 DA H3' . . A . 3 DA C3' . . A . 3 DA O3' . . A . 4 DT P . 1buf_ambr001 . 3 DA H3' . . . 1buf_ambr001 . 3 DA C3' . . . 1buf_ambr001 . 3 DA O3' . . . 1buf_ambr001 . 4 DT P . . rr_1buf 2 8 . . 1 1 4 4 DT C4' C . . 1 1 4 4 DT C5' C . . 1 1 4 4 DT O5' O . . 1 1 4 4 DT P P . 152.9 157.9 . . . A . 4 DT C4' . . A . 4 DT C5' . . A . 4 DT O5' . . A . 4 DT P . 1buf_ambr001 . 4 DT C4' . . . 1buf_ambr001 . 4 DT C5' . . . 1buf_ambr001 . 4 DT O5' . . . 1buf_ambr001 . 4 DT P . . rr_1buf 2 9 . . 1 1 4 4 DT C4' C . . 1 1 4 4 DT C3' C . . 1 1 4 4 DT O3' O . . 1 1 5 5 DT P P . -157.9 -152.9 . . . A . 4 DT C4' . . A . 4 DT C3' . . A . 4 DT O3' . . A . 5 DT P . 1buf_ambr001 . 4 DT C4' . . . 1buf_ambr001 . 4 DT C3' . . . 1buf_ambr001 . 4 DT O3' . . . 1buf_ambr001 . 5 DT P . . rr_1buf 2 10 . . 1 1 5 5 DT C4' C . . 1 1 5 5 DT C5' C . . 1 1 5 5 DT O5' O . . 1 1 5 5 DT P P . -164.8 -159.8 . . . A . 5 DT C4' . . A . 5 DT C5' . . A . 5 DT O5' . . A . 5 DT P . 1buf_ambr001 . 5 DT C4' . . . 1buf_ambr001 . 5 DT C5' . . . 1buf_ambr001 . 5 DT O5' . . . 1buf_ambr001 . 5 DT P . . rr_1buf 2 11 . . 1 1 5 5 DT C4' C . . 1 1 5 5 DT C3' C . . 1 1 5 5 DT O3' O . . 1 1 6 6 DG P P . -164.8 -159.8 . . . A . 5 DT C4' . . A . 5 DT C3' . . A . 5 DT O3' . . A . 6 DG P . 1buf_ambr001 . 5 DT C4' . . . 1buf_ambr001 . 5 DT C3' . . . 1buf_ambr001 . 5 DT O3' . . . 1buf_ambr001 . 6 DG3 P . . rr_1buf 2 12 . . 1 1 5 5 DT H3' H . . 1 1 5 5 DT C3' C . . 1 1 5 5 DT O3' O . . 1 1 6 6 DG P P . -48.2 -43.2 . . . A . 5 DT H3' . . A . 5 DT C3' . . A . 5 DT O3' . . A . 6 DG P . 1buf_ambr001 . 5 DT H3' . . . 1buf_ambr001 . 5 DT C3' . . . 1buf_ambr001 . 5 DT O3' . . . 1buf_ambr001 . 6 DG3 P . . rr_1buf 2 13 . . 1 1 6 6 DG C4' C . . 1 1 6 6 DG C5' C . . 1 1 6 6 DG O5' O . . 1 1 6 6 DG P P . 158.7 163.7 . . . A . 6 DG C4' . . A . 6 DG C5' . . A . 6 DG O5' . . A . 6 DG P . 1buf_ambr001 . 6 DG3 C4' . . . 1buf_ambr001 . 6 DG3 C5' . . . 1buf_ambr001 . 6 DG3 O5' . . . 1buf_ambr001 . 6 DG3 P . . rr_1buf 2 14 . . 1 1 2 2 DA H3' H . . 1 1 2 2 DA C3' C . . 1 1 2 2 DA O3' O . . 1 1 3 3 DA P P . -37.9 -32.9 . . . A . 2 DA H3' . . A . 2 DA C3' . . A . 2 DA O3' . . A . 3 DA P . 1buf_ambr001 . 2 DA H3' . . . 1buf_ambr001 . 2 DA C3' . . . 1buf_ambr001 . 2 DA O3' . . . 1buf_ambr001 . 3 DA P . . rr_1buf 2 15 . . 1 1 4 4 DT H3' H . . 1 1 4 4 DT C3' C . . 1 1 4 4 DT O3' O . . 1 1 5 5 DT P P . -36.1 -31.1 . . . A . 4 DT H3' . . A . 4 DT C3' . . A . 4 DT O3' . . A . 5 DT P . 1buf_ambr001 . 4 DT H3' . . . 1buf_ambr001 . 4 DT C3' . . . 1buf_ambr001 . 4 DT O3' . . . 1buf_ambr001 . 5 DT P . . rr_1buf 2 stop_ loop_ _TA_constraint_comment_org.ID _TA_constraint_comment_org.Comment_text _TA_constraint_comment_org.Comment_begin_line _TA_constraint_comment_org.Comment_begin_column _TA_constraint_comment_org.Comment_end_line _TA_constraint_comment_org.Comment_end_column _TA_constraint_comment_org.Entry_ID _TA_constraint_comment_org.Torsion_angle_constraint_list_ID 1 ; backbone torsion; belta and epsilon (can be determined from HSQC expt.) the following torsion angles are in the order of: C4'-C5'-O5'-P (beta); C4'-C3'-O3'-P(n+1) (epsilon); H3'-C3'-O3'-P(n+1) +/- 2.5 Hz => +/- 2.5 deg. extending 10 deg. at each side. from C1 and C7 ================================================= ; 1 1 6 69 rr_1buf 2 2 'from A2 and A8 =================================================' 12 1 12 69 rr_1buf 2 3 'from A3 and A9 =================================================' 23 1 23 69 rr_1buf 2 4 'from T4 and T10 =================================================' 34 1 34 70 rr_1buf 2 5 'from T5 and T11 =================================================' 45 1 45 70 rr_1buf 2 6 'from G6 and G12 ==================================================' 56 1 56 70 rr_1buf 2 stop_ loop_ _TA_constraint_conv_err.ID _TA_constraint_conv_err.Parse_file_ID _TA_constraint_conv_err.Parse_file_constraint_ID _TA_constraint_conv_err.Conv_error_type _TA_constraint_conv_err.Conv_error_note _TA_constraint_conv_err.Entry_ID _TA_constraint_conv_err.Torsion_angle_constraint_list_ID 1 6 3 1 "Not handling restraint 3, resonance(s) '1buf_ambr002.1.C4'' (nmrStar names),'1buf_ambr002.1.C3'' (nmrStar names),'1buf_ambr002.1.O3'' (nmrStar names),'1buf_ambr002.2.P' (nmrStar names) not linked" rr_1buf 2 2 6 4 1 "Not handling restraint 4, resonance(s) '1buf_ambr002.1.H3'' (nmrStar names),'1buf_ambr002.1.C3'' (nmrStar names),'1buf_ambr002.1.O3'' (nmrStar names),'1buf_ambr002.2.P' (nmrStar names) not linked" rr_1buf 2 3 6 8 1 "Not handling restraint 8, resonance(s) '1buf_ambr002.2.C4'' (nmrStar names),'1buf_ambr002.2.C5'' (nmrStar names),'1buf_ambr002.2.O5'' (nmrStar names),'1buf_ambr002.2.P' (nmrStar names) not linked" rr_1buf 2 4 6 9 1 "Not handling restraint 9, resonance(s) '1buf_ambr002.2.C4'' (nmrStar names),'1buf_ambr002.2.C3'' (nmrStar names),'1buf_ambr002.2.O3'' (nmrStar names),'1buf_ambr002.3.P' (nmrStar names) not linked" rr_1buf 2 5 6 10 1 "Not handling restraint 10, resonance(s) '1buf_ambr002.2.H3'' (nmrStar names),'1buf_ambr002.2.C3'' (nmrStar names),'1buf_ambr002.2.O3'' (nmrStar names),'1buf_ambr002.3.P' (nmrStar names) not linked" rr_1buf 2 6 6 14 1 "Not handling restraint 14, resonance(s) '1buf_ambr002.3.C4'' (nmrStar names),'1buf_ambr002.3.C5'' (nmrStar names),'1buf_ambr002.3.O5'' (nmrStar names),'1buf_ambr002.3.P' (nmrStar names) not linked" rr_1buf 2 7 6 15 1 "Not handling restraint 15, resonance(s) '1buf_ambr002.3.C4'' (nmrStar names),'1buf_ambr002.3.C3'' (nmrStar names),'1buf_ambr002.3.O3'' (nmrStar names),'1buf_ambr002.4.P' (nmrStar names) not linked" rr_1buf 2 8 6 16 1 "Not handling restraint 16, resonance(s) '1buf_ambr002.3.H3'' (nmrStar names),'1buf_ambr002.3.C3'' (nmrStar names),'1buf_ambr002.3.O3'' (nmrStar names),'1buf_ambr002.4.P' (nmrStar names) not linked" rr_1buf 2 9 6 20 1 "Not handling restraint 20, resonance(s) '1buf_ambr002.4.C4'' (nmrStar names),'1buf_ambr002.4.C5'' (nmrStar names),'1buf_ambr002.4.O5'' (nmrStar names),'1buf_ambr002.4.P' (nmrStar names) not linked" rr_1buf 2 10 6 21 1 "Not handling restraint 21, resonance(s) '1buf_ambr002.4.C4'' (nmrStar names),'1buf_ambr002.4.C3'' (nmrStar names),'1buf_ambr002.4.O3'' (nmrStar names),'1buf_ambr002.5.P' (nmrStar names) not linked" rr_1buf 2 11 6 22 1 "Not handling restraint 22, resonance(s) '1buf_ambr002.4.H3'' (nmrStar names),'1buf_ambr002.4.C3'' (nmrStar names),'1buf_ambr002.4.O3'' (nmrStar names),'1buf_ambr002.5.P' (nmrStar names) not linked" rr_1buf 2 12 6 26 1 "Not handling restraint 26, resonance(s) '1buf_ambr002.5.C4'' (nmrStar names),'1buf_ambr002.5.C5'' (nmrStar names),'1buf_ambr002.5.O5'' (nmrStar names),'1buf_ambr002.5.P' (nmrStar names) not linked" rr_1buf 2 13 6 27 1 "Not handling restraint 27, resonance(s) '1buf_ambr002.5.C4'' (nmrStar names),'1buf_ambr002.5.C3'' (nmrStar names),'1buf_ambr002.5.O3'' (nmrStar names),'1buf_ambr002.6.P' (nmrStar names) not linked" rr_1buf 2 14 6 28 1 "Not handling restraint 28, resonance(s) '1buf_ambr002.5.H3'' (nmrStar names),'1buf_ambr002.5.C3'' (nmrStar names),'1buf_ambr002.5.O3'' (nmrStar names),'1buf_ambr002.6.P' (nmrStar names) not linked" rr_1buf 2 15 6 30 1 "Not handling restraint 30, resonance(s) '1buf_ambr002.6.C4'' (nmrStar names),'1buf_ambr002.6.C5'' (nmrStar names),'1buf_ambr002.6.O5'' (nmrStar names),'1buf_ambr002.6.P' (nmrStar names) not linked" rr_1buf 2 stop_ save_ save_MR_file_comment_1 _Org_constr_file_comment.Sf_framecode MR_file_comment_1 _Org_constr_file_comment.Sf_category org_constr_file_comment _Org_constr_file_comment.Entry_ID rr_1buf _Org_constr_file_comment.ID 1 _Org_constr_file_comment.Constraint_file_ID 1 _Org_constr_file_comment.Block_ID 1 _Org_constr_file_comment.Details 'Generated by Wattos' _Org_constr_file_comment.Comment "*HEADER DEOXYRIBONUCLEIC ACID 24-JUN-96 1BUF *TITLE SELF-COMPLEMENTARY DNA 5'-D(CAATTG)2, NMR, MINIMIZED *TITLE 2 AVERAGE STRUCTURE *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: DNA (5'-D(CAATTG)-3')2; *COMPND 3 CHAIN: A, B; *COMPND 4 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: YES *KEYWDS DEOXYRIBONUCLEIC ACID, DNA *EXPDTA NMR, MINIMIZED AVERAGE STRUCTURE *AUTHOR S.L.LAM,S.C.F.AU-YEUNG *REVDAT 1 27-JAN-97 1BUF 0 ____________________________________________________________________ RESTRAINT FILE:" save_